N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinolin-4-amine

C30H33FN6O2 — CID 59631479

IUPACN-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinolin-4-amine
SMILESCC(C)c1c(-c2ccccn2)nc2cc(F)ccc2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1
InChIInChI=1S/C30H33FN6O2/c1-20(2)27-28(23-7-6-21(31)17-25(23)34-29(27)24-5-3-4-8-32-24)35-26-18-22(36-9-13-38-14-10-36)19-33-30(26)37-11-15-39-16-12-37/h3-8,17-20H,9-16H2,1-2H3,(H,34,35)
InChIKeySRQHSRXLGSNRTB-UHFFFAOYSA-N
MW528.63 g/mol
LogP5.37
Rot. Bonds6

About N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinolin-4-amine

N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 59631479) has the molecular formula C30H33FN6O2 and a molecular weight of 528.63 g/mol. Its IUPAC name is N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinolin-4-amine
PubChem CID59631479
Molecular FormulaC30H33FN6O2
Molecular Weight528.63 g/mol
Exact Mass528.26
IUPAC NameN-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinolin-4-amine
SMILESCC(C)c1c(-c2ccccn2)nc2cc(F)ccc2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1
InChIInChI=1S/C30H33FN6O2/c1-20(2)27-28(23-7-6-21(31)17-25(23)34-29(27)24-5-3-4-8-32-24)35-26-18-22(36-9-13-38-14-10-36)19-33-30(26)37-11-15-39-16-12-37/h3-8,17-20H,9-16H2,1-2H3,(H,34,35)
InChIKeySRQHSRXLGSNRTB-UHFFFAOYSA-N
XLogP5.37
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.63
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinolin-4-amine;ethyl 2-[(3-fluorophenyl)carbamoyl]-3-methylbutanoate
CID 67508210
N-[5-(1,1-dihydroxy-1,4-thiazinan-4-yl)-2-morpholin-4-yl-3-pyridinyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 68783405
N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-2-pyridin-2-ylquinolin-4-amine
CID 59631128
N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5-fluoro-3,8-dimethyl-2-pyridin-2-ylquinolin-4-amine
CID 50906575
8-chloro-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 59631140
N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-2-(2-fluoro-5-nitrophenyl)-3-methylquinolin-4-amine
CID 59631298
N-(2,5-dimorpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylpyrido[2,3-d]pyrimidin-4-amine
CID 50906785
N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-2-(6-methoxy-2-pyridinyl)-3-methylquinolin-4-amine
CID 50906572
N-[3-[(dimethylamino)methyl]-5-morpholin-4-ylphenyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 59631388
4-chloro-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine
CID 157054036
N-[2-[3-(difluoromethoxy)phenyl]-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 59631562
5-chloro-1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane];1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]
CID 160891516

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinolin-4-amine (CID 59631479) is N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinolin-4-amine is CC(C)c1c(-c2ccccn2)nc2cc(F)ccc2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1.
What is the InChIKey of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is SRQHSRXLGSNRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33FN6O2/c1-20(2)27-28(23-7-6-21(31)17-25(23)34-29(27)24-5-3-4-8-32-24)35-26-18-22(36-9-13-38-14-10-36)19-33-30(26)37-11-15-39-16-12-37/h3-8,17-20H,9-16H2,1-2H3,(H,34,35).
What are the key properties of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinolin-4-amine?
N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 528.63 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 59631479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).