N-cyclopropyl-3-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-5-morpholin-4-ylbenzamide

C29H28FN5O2 — CID 67507904

IUPACN-cyclopropyl-3-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-5-morpholin-4-ylbenzamide
SMILESCc1c(-c2ccccn2)nc2cc(F)ccc2c1Nc1cc(C(=O)NC2CC2)cc(N2CCOCC2)c1
InChIInChI=1S/C29H28FN5O2/c1-18-27(24-8-5-20(30)16-26(24)34-28(18)25-4-2-3-9-31-25)32-22-14-19(29(36)33-21-6-7-21)15-23(17-22)35-10-12-37-13-11-35/h2-5,8-9,14-17,21H,6-7,10-13H2,1H3,(H,32,34)(H,33,36)
InChIKeyAQZBXOWAGYAIKL-UHFFFAOYSA-N
MW497.57 g/mol
LogP5.22
Rot. Bonds6

About N-cyclopropyl-3-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-5-morpholin-4-ylbenzamide

N-cyclopropyl-3-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-5-morpholin-4-ylbenzamide (PubChem CID 67507904) has the molecular formula C29H28FN5O2 and a molecular weight of 497.57 g/mol. Its IUPAC name is N-cyclopropyl-3-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-5-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-5-morpholin-4-ylbenzamide
PubChem CID67507904
Molecular FormulaC29H28FN5O2
Molecular Weight497.57 g/mol
Exact Mass497.22
IUPAC NameN-cyclopropyl-3-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-5-morpholin-4-ylbenzamide
SMILESCc1c(-c2ccccn2)nc2cc(F)ccc2c1Nc1cc(C(=O)NC2CC2)cc(N2CCOCC2)c1
InChIInChI=1S/C29H28FN5O2/c1-18-27(24-8-5-20(30)16-26(24)34-28(18)25-4-2-3-9-31-25)32-22-14-19(29(36)33-21-6-7-21)15-23(17-22)35-10-12-37-13-11-35/h2-5,8-9,14-17,21H,6-7,10-13H2,1H3,(H,32,34)(H,33,36)
InChIKeyAQZBXOWAGYAIKL-UHFFFAOYSA-N
XLogP5.22
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.57
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-3-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-5-morpholin-4-ylbenzamide with MolForge

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Launch Full Analysis

Related Compounds

N-[3-[(dimethylamino)methyl]-5-morpholin-4-ylphenyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 59631388
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
6-amino-2-morpholin-4-ylpyrimidine-4-carbonitrile;4-chloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;4-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-ylpyridine-2-carbonitrile
CID 158327823
N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinolin-4-amine
CID 59631479
N-[3-[[7-fluoro-3-methyl-2-(2-oxopyrrolidin-1-yl)quinolin-4-yl]amino]-5-morpholin-4-ylphenyl]acetamide
CID 59631301
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
5,7-difluoro-3-methyl-N-(2-morpholin-4-ylpyrimidin-4-yl)-2-pyridin-2-ylquinolin-4-amine
CID 56591659
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
N-(2,5-dimorpholin-4-ylphenyl)-7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-amine
CID 59631208
4-fluoro-N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]benzamide
CID 165112983
N-[5-(1,1-dihydroxythian-4-yl)-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 89485351
3-fluoro-N-[6-methyl-5-(4-pyridin-2-yltriazol-1-yl)-3-pyridinyl]-5-morpholin-4-ylbenzamide
CID 24936946

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-5-morpholin-4-ylbenzamide?
The IUPAC name of N-cyclopropyl-3-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-5-morpholin-4-ylbenzamide (CID 67507904) is N-cyclopropyl-3-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-5-morpholin-4-ylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-5-morpholin-4-ylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-5-morpholin-4-ylbenzamide is Cc1c(-c2ccccn2)nc2cc(F)ccc2c1Nc1cc(C(=O)NC2CC2)cc(N2CCOCC2)c1.
What is the InChIKey of N-cyclopropyl-3-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-5-morpholin-4-ylbenzamide?
The InChIKey is AQZBXOWAGYAIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN5O2/c1-18-27(24-8-5-20(30)16-26(24)34-28(18)25-4-2-3-9-31-25)32-22-14-19(29(36)33-21-6-7-21)15-23(17-22)35-10-12-37-13-11-35/h2-5,8-9,14-17,21H,6-7,10-13H2,1H3,(H,32,34)(H,33,36).
What are the key properties of N-cyclopropyl-3-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-5-morpholin-4-ylbenzamide?
N-cyclopropyl-3-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-5-morpholin-4-ylbenzamide has a molecular weight of 497.57 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-5-morpholin-4-ylbenzamide is sourced from PubChem (CID 67507904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).