N-[[2-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]amino]pyrimidin-5-yl]cyclopropyl]methyl]-3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopropylmethyl)-8-methylquinolin-2-amine

C61H60F12N12 — CID 123476101

IUPACN-[[2-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]amino]pyrimidin-5-yl]cyclopropyl]methyl]-3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopropylmethyl)-8-methylquinolin-2-amine
SMILESCCN(CC1CCCC1)c1nc2ccccc2cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncc(C2CC2CN(CC2CC2)c2nc3c(C)cccc3cc2CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)cn1
InChIInChI=1S/C61H60F12N12/c1-4-82(29-37-11-5-6-12-37)54-44(22-41-13-7-8-15-52(41)76-54)34-84(31-39-18-47(58(62,63)64)25-48(19-39)59(65,66)67)56-74-27-46(28-75-56)51-24-43(51)33-83(30-38-16-17-38)55-45(23-42-14-9-10-36(2)53(42)77-55)35-85(57-78-80-81(3)79-57)32-40-20-49(60(68,69)70)26-50(21-40)61(71,72)73/h7-10,13-15,18-23,25-28,37-38,43,51H,4-6,11-12,16-17,24,29-35H2,1-3H3
InChIKeyQUAHSDSOAOHKAM-UHFFFAOYSA-N
MW1189.21 g/mol
LogP14.93
Rot. Bonds20

About N-[[2-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]amino]pyrimidin-5-yl]cyclopropyl]methyl]-3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopropylmethyl)-8-methylquinolin-2-amine

N-[[2-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]amino]pyrimidin-5-yl]cyclopropyl]methyl]-3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopropylmethyl)-8-methylquinolin-2-amine (PubChem CID 123476101) has the molecular formula C61H60F12N12 and a molecular weight of 1189.21 g/mol. Its IUPAC name is N-[[2-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]amino]pyrimidin-5-yl]cyclopropyl]methyl]-3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopropylmethyl)-8-methylquinolin-2-amine.

Molecular Properties

Compound NameN-[[2-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]amino]pyrimidin-5-yl]cyclopropyl]methyl]-3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopropylmethyl)-8-methylquinolin-2-amine
PubChem CID123476101
Molecular FormulaC61H60F12N12
Molecular Weight1189.21 g/mol
Exact Mass1188.49
IUPAC NameN-[[2-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]amino]pyrimidin-5-yl]cyclopropyl]methyl]-3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopropylmethyl)-8-methylquinolin-2-amine
SMILESCCN(CC1CCCC1)c1nc2ccccc2cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncc(C2CC2CN(CC2CC2)c2nc3c(C)cccc3cc2CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)cn1
InChIInChI=1S/C61H60F12N12/c1-4-82(29-37-11-5-6-12-37)54-44(22-41-13-7-8-15-52(41)76-54)34-84(31-39-18-47(58(62,63)64)25-48(19-39)59(65,66)67)56-74-27-46(28-75-56)51-24-43(51)33-83(30-38-16-17-38)55-45(23-42-14-9-10-36(2)53(42)77-55)35-85(57-78-80-81(3)79-57)32-40-20-49(60(68,69)70)26-50(21-40)61(71,72)73/h7-10,13-15,18-23,25-28,37-38,43,51H,4-6,11-12,16-17,24,29-35H2,1-3H3
InChIKeyQUAHSDSOAOHKAM-UHFFFAOYSA-N
XLogP14.93
TPSA108.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001189.21
LogP ≤ 514.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze N-[[2-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]amino]pyrimidin-5-yl]cyclopropyl]methyl]-3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopropylmethyl)-8-methylquinolin-2-amine with MolForge

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Related Compounds

3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-7-bromo-N-(cyclopentylmethyl)-N-ethylquinolin-2-amine
CID 24831211
2-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]tetrazol-2-yl]ethanol
CID 23729469
N,N-bis(cyclopropylmethyl)-8-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;2-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]acetonitrile;N-(cyclopentylmethyl)-N-ethyl-3-[[(1-methyltetrazol-5-yl)methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;methane
CID 159575165
8-chloro-N,N-bis(cyclopropylmethyl)-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine
CID 90145753
2-[5-[[2-[[2-[2-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]tetrazol-2-yl]ethoxymethyl]cyclopropyl]methyl-(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]tetrazol-2-yl]ethanol
CID 126693127
3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-7-bromo-N-(cyclopentylmethyl)-N-ethylquinolin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-2-[cyclopentylmethyl(ethyl)amino]quinoline-7-carbonitrile
CID 161094494
3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-5-bromo-N-(cyclopentylmethyl)-N-ethylpyridin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopentylmethyl)-N-ethylpyridin-2-amine
CID 157114043
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 11699832
N,N-bis(cyclopropylmethyl)-8-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-[[2-[cyclobutylmethyl(ethyl)amino]quinolin-3-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine;N-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine;N-(cyclopentylmethyl)-N-ethyl-3-[[(1-methyltetrazol-5-yl)methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-(cyclopentylmethyl)-N-ethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-pyrimidin-2-ylamino]methyl]quinolin-2-amine
CID 160745382
ethyl 2-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]tetrazol-2-yl]acetate
CID 118642712
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]-4-methyl-1,3-oxazol-2-amine
CID 11621285
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]-5-methyl-4,5-dihydro-1,3-oxazol-2-amine
CID 58689745

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]amino]pyrimidin-5-yl]cyclopropyl]methyl]-3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopropylmethyl)-8-methylquinolin-2-amine?
The IUPAC name of N-[[2-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]amino]pyrimidin-5-yl]cyclopropyl]methyl]-3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopropylmethyl)-8-methylquinolin-2-amine (CID 123476101) is N-[[2-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]amino]pyrimidin-5-yl]cyclopropyl]methyl]-3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopropylmethyl)-8-methylquinolin-2-amine.
What is the SMILES notation for N-[[2-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]amino]pyrimidin-5-yl]cyclopropyl]methyl]-3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopropylmethyl)-8-methylquinolin-2-amine?
The canonical SMILES for N-[[2-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]amino]pyrimidin-5-yl]cyclopropyl]methyl]-3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopropylmethyl)-8-methylquinolin-2-amine is CCN(CC1CCCC1)c1nc2ccccc2cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncc(C2CC2CN(CC2CC2)c2nc3c(C)cccc3cc2CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)cn1.
What is the InChIKey of N-[[2-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]amino]pyrimidin-5-yl]cyclopropyl]methyl]-3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopropylmethyl)-8-methylquinolin-2-amine?
The InChIKey is QUAHSDSOAOHKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H60F12N12/c1-4-82(29-37-11-5-6-12-37)54-44(22-41-13-7-8-15-52(41)76-54)34-84(31-39-18-47(58(62,63)64)25-48(19-39)59(65,66)67)56-74-27-46(28-75-56)51-24-43(51)33-83(30-38-16-17-38)55-45(23-42-14-9-10-36(2)53(42)77-55)35-85(57-78-80-81(3)79-57)32-40-20-49(60(68,69)70)26-50(21-40)61(71,72)73/h7-10,13-15,18-23,25-28,37-38,43,51H,4-6,11-12,16-17,24,29-35H2,1-3H3.
What are the key properties of N-[[2-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]amino]pyrimidin-5-yl]cyclopropyl]methyl]-3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopropylmethyl)-8-methylquinolin-2-amine?
N-[[2-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]amino]pyrimidin-5-yl]cyclopropyl]methyl]-3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopropylmethyl)-8-methylquinolin-2-amine has a molecular weight of 1189.21 g/mol, XLogP of 14.93, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]amino]pyrimidin-5-yl]cyclopropyl]methyl]-3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopropylmethyl)-8-methylquinolin-2-amine is sourced from PubChem (CID 123476101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).