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

C18H17IN4O2 — CID 171147857

IUPAC7-iodo-6-methoxy-4-(1-pyridin-2-ylethylamino)quinoline-3-carboxamide
SMILESCOc1cc2c(NC(C)c3ccccn3)c(C(N)=O)cnc2cc1I
InChIInChI=1S/C18H17IN4O2/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)
InChIKeyOONTZPYTFXAYID-UHFFFAOYSA-N
MW448.26 g/mol
LogP3.52
Rot. Bonds5

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

7-iodo-6-methoxy-4-(1-pyridin-2-ylethylamino)quinoline-3-carboxamide (PubChem CID 171147857) has the molecular formula C18H17IN4O2 and a molecular weight of 448.26 g/mol. Its IUPAC name is 7-iodo-6-methoxy-4-(1-pyridin-2-ylethylamino)quinoline-3-carboxamide.

Molecular Properties

Compound Name7-iodo-6-methoxy-4-(1-pyridin-2-ylethylamino)quinoline-3-carboxamide
PubChem CID171147857
Molecular FormulaC18H17IN4O2
Molecular Weight448.26 g/mol
Exact Mass448.04
IUPAC Name7-iodo-6-methoxy-4-(1-pyridin-2-ylethylamino)quinoline-3-carboxamide
SMILESCOc1cc2c(NC(C)c3ccccn3)c(C(N)=O)cnc2cc1I
InChIInChI=1S/C18H17IN4O2/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)
InChIKeyOONTZPYTFXAYID-UHFFFAOYSA-N
XLogP3.52
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.26
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

7-chloro-6-methoxy-4-(1-pyridin-2-ylethylamino)quinoline-3-carboxamide
CID 155897183
5-amino-2-(1-pyridin-2-ylethylamino)pyridine-3-carboxamide
CID 61360352
6,7-dichloro-4-(2-methoxyanilino)quinoline-3-carboxamide
CID 10155530
2-ethyl-6-methoxy-N-[(1S)-1-pyridin-2-ylethyl]aniline
CID 175055680
[3-carbamoyl-4-(2-ethylanilino)-7-methoxyquinolin-6-yl] propane-2-sulfonate
CID 86621016
methyl 5-amino-3-chloro-2-(1-pyridin-2-ylethylamino)benzoate
CID 107194044
4-[(3-carbamoyl-6,7-dimethoxyquinolin-4-yl)amino]-3-methylbenzoic acid
CID 22170208
4-amino-2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 107207958
4-(3,5-difluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide
CID 44570972
3-[(3-carbamoyl-6,7-dimethoxyquinolin-4-yl)amino]-2-methylbenzoic acid
CID 22170278
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-oxo-4-[[(1R)-1-pyridin-2-ylethyl]amino]-1H-quinoline-3-carboxamide
CID 167441304
4-(2,4-dibromoanilino)-6,7-dimethoxyquinoline-3-carboxamide
CID 10116729

Frequently Asked Questions

What is the IUPAC name of 7-iodo-6-methoxy-4-(1-pyridin-2-ylethylamino)quinoline-3-carboxamide?
The IUPAC name of 7-iodo-6-methoxy-4-(1-pyridin-2-ylethylamino)quinoline-3-carboxamide (CID 171147857) is 7-iodo-6-methoxy-4-(1-pyridin-2-ylethylamino)quinoline-3-carboxamide.
What is the SMILES notation for 7-iodo-6-methoxy-4-(1-pyridin-2-ylethylamino)quinoline-3-carboxamide?
The canonical SMILES for 7-iodo-6-methoxy-4-(1-pyridin-2-ylethylamino)quinoline-3-carboxamide is COc1cc2c(NC(C)c3ccccn3)c(C(N)=O)cnc2cc1I.
What is the InChIKey of 7-iodo-6-methoxy-4-(1-pyridin-2-ylethylamino)quinoline-3-carboxamide?
The InChIKey is OONTZPYTFXAYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17IN4O2/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-iodo-6-methoxy-4-(1-pyridin-2-ylethylamino)quinoline-3-carboxamide?
7-iodo-6-methoxy-4-(1-pyridin-2-ylethylamino)quinoline-3-carboxamide has a molecular weight of 448.26 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-6-methoxy-4-(1-pyridin-2-ylethylamino)quinoline-3-carboxamide is sourced from PubChem (CID 171147857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).