N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]cyclohexyl]-2-[[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]carbamoylamino]acetamide

C41H53N7O4 — CID 175825505

IUPACN-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]cyclohexyl]-2-[[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]carbamoylamino]acetamide
SMILESCCC(=O)N1c2ccccc2[C@H](Nc2ccc(NC(=O)NCC(=O)NC3CCC(N[C@@H]4C[C@H](C)N(C(=O)CC)c5ccccc54)CC3)cc2)C[C@@H]1C
InChIInChI=1S/C41H53N7O4/c1-5-39(50)47-26(3)23-34(32-11-7-9-13-36(32)47)43-28-15-19-30(20-16-28)45-38(49)25-42-41(52)46-31-21-17-29(18-22-31)44-35-24-27(4)48(40(51)6-2)37-14-10-8-12-33(35)37/h7-14,17-18,21-22,26-28,30,34-35,43-44H,5-6,15-16,19-20,23-25H2,1-4H3,(H,45,49)(H2,42,46,52)/t26-,27-,28?,30?,34+,35+/m0/s1
InChIKeyNVDVTITXKSDUFR-RCRMOXQXSA-N
MW707.92 g/mol
LogP6.79
Rot. Bonds10

About N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]cyclohexyl]-2-[[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]carbamoylamino]acetamide

N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]cyclohexyl]-2-[[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]carbamoylamino]acetamide (PubChem CID 175825505) has the molecular formula C41H53N7O4 and a molecular weight of 707.92 g/mol. Its IUPAC name is N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]cyclohexyl]-2-[[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]carbamoylamino]acetamide.

Molecular Properties

Compound NameN-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]cyclohexyl]-2-[[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]carbamoylamino]acetamide
PubChem CID175825505
Molecular FormulaC41H53N7O4
Molecular Weight707.92 g/mol
Exact Mass707.42
IUPAC NameN-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]cyclohexyl]-2-[[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]carbamoylamino]acetamide
SMILESCCC(=O)N1c2ccccc2[C@H](Nc2ccc(NC(=O)NCC(=O)NC3CCC(N[C@@H]4C[C@H](C)N(C(=O)CC)c5ccccc54)CC3)cc2)C[C@@H]1C
InChIInChI=1S/C41H53N7O4/c1-5-39(50)47-26(3)23-34(32-11-7-9-13-36(32)47)43-28-15-19-30(20-16-28)45-38(49)25-42-41(52)46-31-21-17-29(18-22-31)44-35-24-27(4)48(40(51)6-2)37-14-10-8-12-33(35)37/h7-14,17-18,21-22,26-28,30,34-35,43-44H,5-6,15-16,19-20,23-25H2,1-4H3,(H,45,49)(H2,42,46,52)/t26-,27-,28?,30?,34+,35+/m0/s1
InChIKeyNVDVTITXKSDUFR-RCRMOXQXSA-N
XLogP6.79
TPSA134.91 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.92
LogP ≤ 56.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]cyclohexyl]-2-[[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]carbamoylamino]acetamide with MolForge

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Related Compounds

N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]propanamide
CID 160893183
2-[2-hydroxy-2-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]anilino]ethoxy]-N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]cyclohexyl]acetamide
CID 155674952
2-[[4-(2-bromoethoxy)phenyl]carbamoylamino]-N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]acetamide
CID 177135069
4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]-N-[4-[[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]cyclohexyl]amino]-4-oxobut-2-ynyl]benzamide
CID 155674961
2-amino-N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]acetamide
CID 153348007
N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]-2-[[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]methylamino]acetamide
CID 153347821
1-[2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 139548220
(2R)-2-amino-N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]propanamide
CID 153347967
N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]piperidine-4-carboxamide;hydrochloride
CID 153348206
N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]piperazine-1-carboxamide;hydrochloride
CID 153348132
[1-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoyl]azetidin-3-yl]carbamic acid
CID 175073231
1-[2-methyl-4-[(6-methyl-3-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 139548227

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]cyclohexyl]-2-[[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]carbamoylamino]acetamide?
The IUPAC name of N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]cyclohexyl]-2-[[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]carbamoylamino]acetamide (CID 175825505) is N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]cyclohexyl]-2-[[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]carbamoylamino]acetamide.
What is the SMILES notation for N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]cyclohexyl]-2-[[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]carbamoylamino]acetamide?
The canonical SMILES for N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]cyclohexyl]-2-[[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]carbamoylamino]acetamide is CCC(=O)N1c2ccccc2[C@H](Nc2ccc(NC(=O)NCC(=O)NC3CCC(N[C@@H]4C[C@H](C)N(C(=O)CC)c5ccccc54)CC3)cc2)C[C@@H]1C.
What is the InChIKey of N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]cyclohexyl]-2-[[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]carbamoylamino]acetamide?
The InChIKey is NVDVTITXKSDUFR-RCRMOXQXSA-N. The full InChI is InChI=1S/C41H53N7O4/c1-5-39(50)47-26(3)23-34(32-11-7-9-13-36(32)47)43-28-15-19-30(20-16-28)45-38(49)25-42-41(52)46-31-21-17-29(18-22-31)44-35-24-27(4)48(40(51)6-2)37-14-10-8-12-33(35)37/h7-14,17-18,21-22,26-28,30,34-35,43-44H,5-6,15-16,19-20,23-25H2,1-4H3,(H,45,49)(H2,42,46,52)/t26-,27-,28?,30?,34+,35+/m0/s1.
What are the key properties of N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]cyclohexyl]-2-[[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]carbamoylamino]acetamide?
N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]cyclohexyl]-2-[[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]carbamoylamino]acetamide has a molecular weight of 707.92 g/mol, XLogP of 6.79, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]cyclohexyl]-2-[[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]carbamoylamino]acetamide is sourced from PubChem (CID 175825505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).