7-chloro-6-methoxy-4-(1-pyridin-2-ylethylamino)quinoline-3-carboxamide

C18H17ClN4O2 — CID 155897183

IUPAC7-chloro-6-methoxy-4-(1-pyridin-2-ylethylamino)quinoline-3-carboxamide
SMILESCOc1cc2c(NC(C)c3ccccn3)c(C(N)=O)cnc2cc1Cl
InChIInChI=1S/C18H17ClN4O2/c1-10(14-5-3-4-6-21-14)23-17-11-7-16(25-2)13(19)8-15(11)22-9-12(17)18(20)24/h3-10H,1-2H3,(H2,20,24)(H,22,23)
InChIKeyKHSOLGZMHVAHGS-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.56
Rot. Bonds5

About 7-chloro-6-methoxy-4-(1-pyridin-2-ylethylamino)quinoline-3-carboxamide

7-chloro-6-methoxy-4-(1-pyridin-2-ylethylamino)quinoline-3-carboxamide (PubChem CID 155897183) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 7-chloro-6-methoxy-4-(1-pyridin-2-ylethylamino)quinoline-3-carboxamide.

Molecular Properties

Compound Name7-chloro-6-methoxy-4-(1-pyridin-2-ylethylamino)quinoline-3-carboxamide
PubChem CID155897183
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name7-chloro-6-methoxy-4-(1-pyridin-2-ylethylamino)quinoline-3-carboxamide
SMILESCOc1cc2c(NC(C)c3ccccn3)c(C(N)=O)cnc2cc1Cl
InChIInChI=1S/C18H17ClN4O2/c1-10(14-5-3-4-6-21-14)23-17-11-7-16(25-2)13(19)8-15(11)22-9-12(17)18(20)24/h3-10H,1-2H3,(H2,20,24)(H,22,23)
InChIKeyKHSOLGZMHVAHGS-UHFFFAOYSA-N
XLogP3.56
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-iodo-6-methoxy-4-(1-pyridin-2-ylethylamino)quinoline-3-carboxamide
CID 171147857
6,7-dichloro-4-(2-methoxyanilino)quinoline-3-carboxamide
CID 10155530
4-chloro-2,5-dimethoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43192168
methyl 5-amino-3-chloro-2-(1-pyridin-2-ylethylamino)benzoate
CID 107194044
5-amino-2-(1-pyridin-2-ylethylamino)pyridine-3-carboxamide
CID 61360352
ethyl 7-chloro-6-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 54773034
2-[4-[3-chloro-4-(1-pyridin-2-ylethylamino)quinolin-6-yl]phenyl]propan-2-ol
CID 126531166
3-chloro-4-(1-pyridin-2-ylethylamino)benzoic acid
CID 63086633
4-(3,5-difluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide
CID 44570972
4-anilino-6,7-dimethoxyquinoline-3-carboxamide;4-(4-chloro-2-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide;4-(2-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide
CID 158844867
2-ethyl-6-methoxy-N-[(1S)-1-pyridin-2-ylethyl]aniline
CID 175055680
2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 36804802

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-methoxy-4-(1-pyridin-2-ylethylamino)quinoline-3-carboxamide?
The IUPAC name of 7-chloro-6-methoxy-4-(1-pyridin-2-ylethylamino)quinoline-3-carboxamide (CID 155897183) is 7-chloro-6-methoxy-4-(1-pyridin-2-ylethylamino)quinoline-3-carboxamide.
What is the SMILES notation for 7-chloro-6-methoxy-4-(1-pyridin-2-ylethylamino)quinoline-3-carboxamide?
The canonical SMILES for 7-chloro-6-methoxy-4-(1-pyridin-2-ylethylamino)quinoline-3-carboxamide is COc1cc2c(NC(C)c3ccccn3)c(C(N)=O)cnc2cc1Cl.
What is the InChIKey of 7-chloro-6-methoxy-4-(1-pyridin-2-ylethylamino)quinoline-3-carboxamide?
The InChIKey is KHSOLGZMHVAHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-10(14-5-3-4-6-21-14)23-17-11-7-16(25-2)13(19)8-15(11)22-9-12(17)18(20)24/h3-10H,1-2H3,(H2,20,24)(H,22,23).
What are the key properties of 7-chloro-6-methoxy-4-(1-pyridin-2-ylethylamino)quinoline-3-carboxamide?
7-chloro-6-methoxy-4-(1-pyridin-2-ylethylamino)quinoline-3-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-methoxy-4-(1-pyridin-2-ylethylamino)quinoline-3-carboxamide is sourced from PubChem (CID 155897183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).