N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-3-pyridinyl]cyclopentanecarboxamide

C30H31N5O2 — CID 66800936

IUPACN-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-3-pyridinyl]cyclopentanecarboxamide
SMILESNc1nc2ccc(-c3cncc(NC(=O)C4CCCC4)c3)cc2cc1-c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C30H31N5O2/c31-29-27(20-5-8-26(9-6-20)35-11-13-37-14-12-35)17-23-15-22(7-10-28(23)34-29)24-16-25(19-32-18-24)33-30(36)21-3-1-2-4-21/h5-10,15-19,21H,1-4,11-14H2,(H2,31,34)(H,33,36)
InChIKeyAOJREMLURQQPKA-UHFFFAOYSA-N
MW493.61 g/mol
LogP5.51
Rot. Bonds5

About N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-3-pyridinyl]cyclopentanecarboxamide

N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-3-pyridinyl]cyclopentanecarboxamide (PubChem CID 66800936) has the molecular formula C30H31N5O2 and a molecular weight of 493.61 g/mol. Its IUPAC name is N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-3-pyridinyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-3-pyridinyl]cyclopentanecarboxamide
PubChem CID66800936
Molecular FormulaC30H31N5O2
Molecular Weight493.61 g/mol
Exact Mass493.25
IUPAC NameN-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-3-pyridinyl]cyclopentanecarboxamide
SMILESNc1nc2ccc(-c3cncc(NC(=O)C4CCCC4)c3)cc2cc1-c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C30H31N5O2/c31-29-27(20-5-8-26(9-6-20)35-11-13-37-14-12-35)17-23-15-22(7-10-28(23)34-29)24-16-25(19-32-18-24)33-30(36)21-3-1-2-4-21/h5-10,15-19,21H,1-4,11-14H2,(H2,31,34)(H,33,36)
InChIKeyAOJREMLURQQPKA-UHFFFAOYSA-N
XLogP5.51
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.61
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]cyclohexanecarboxamide
CID 159909500
1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 53166089
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120
N-(5-morpholin-4-yl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 119842040
N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 41491961
6-(cyclopentanecarbonylamino)-N-(5-phenyl-3-pyridinyl)-2,3,4,5-tetrahydropyridine-4-carboxamide
CID 123744715
5-(cyclopentanecarbonylamino)-1-methyl-N-(4-morpholin-4-ylphenyl)pyrazole-3-carboxamide
CID 51999642
4-(methylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide
CID 71040468
5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 158730582
methyl 4-[2-amino-5-(4-morpholin-4-ylphenyl)-3-pyridinyl]benzoate
CID 175443444
(3R)-N-(4-morpholin-4-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 36997778
5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-methyl-3-pyridinyl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-methyl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 159550905

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-3-pyridinyl]cyclopentanecarboxamide?
The IUPAC name of N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-3-pyridinyl]cyclopentanecarboxamide (CID 66800936) is N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-3-pyridinyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-3-pyridinyl]cyclopentanecarboxamide?
The canonical SMILES for N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-3-pyridinyl]cyclopentanecarboxamide is Nc1nc2ccc(-c3cncc(NC(=O)C4CCCC4)c3)cc2cc1-c1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-3-pyridinyl]cyclopentanecarboxamide?
The InChIKey is AOJREMLURQQPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O2/c31-29-27(20-5-8-26(9-6-20)35-11-13-37-14-12-35)17-23-15-22(7-10-28(23)34-29)24-16-25(19-32-18-24)33-30(36)21-3-1-2-4-21/h5-10,15-19,21H,1-4,11-14H2,(H2,31,34)(H,33,36).
What are the key properties of N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-3-pyridinyl]cyclopentanecarboxamide?
N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-3-pyridinyl]cyclopentanecarboxamide has a molecular weight of 493.61 g/mol, XLogP of 5.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-3-pyridinyl]cyclopentanecarboxamide is sourced from PubChem (CID 66800936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).