N-(3-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide

C15H18N2O3 — CID 78854787

IUPACN-(3-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NCCCO)c(C)nc2c1
InChIInChI=1S/C15H18N2O3/c1-10-13(15(19)16-6-3-7-18)8-11-4-5-12(20-2)9-14(11)17-10/h4-5,8-9,18H,3,6-7H2,1-2H3,(H,16,19)
InChIKeyAXYSCAJCNUTOJF-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.66
Rot. Bonds5

About N-(3-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide

N-(3-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide (PubChem CID 78854787) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
PubChem CID78854787
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-(3-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NCCCO)c(C)nc2c1
InChIInChI=1S/C15H18N2O3/c1-10-13(15(19)16-6-3-7-18)8-11-4-5-12(20-2)9-14(11)17-10/h4-5,8-9,18H,3,6-7H2,1-2H3,(H,16,19)
InChIKeyAXYSCAJCNUTOJF-UHFFFAOYSA-N
XLogP1.66
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-2-methyl-N-[4-(4-methylphenoxy)butyl]quinoline-3-carboxamide
CID 55868189
N-(3-hydroxypropyl)-2,7-dimethylquinoline-3-carboxamide
CID 78870006
7-methoxy-2-methyl-N-(2-methylpropyl)quinoline-3-carboxamide
CID 17425471
N-(2-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78856115
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 33323552
7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide
CID 17397255
3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]-2-methylpropanoic acid
CID 120525822
N-ethoxy-7-methoxy-2-methylquinoline-3-carboxamide
CID 18169112
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 55958782
N-[(2R)-2-(ethylamino)propyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 120653655
7-fluoro-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinoline-3-carboxamide
CID 17484983
N-(3-butoxypropyl)-6-methoxy-2-methylquinoline-3-carboxamide
CID 33220870

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide (CID 78854787) is N-(3-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide is COc1ccc2cc(C(=O)NCCCO)c(C)nc2c1.
What is the InChIKey of N-(3-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide?
The InChIKey is AXYSCAJCNUTOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-13(15(19)16-6-3-7-18)8-11-4-5-12(20-2)9-14(11)17-10/h4-5,8-9,18H,3,6-7H2,1-2H3,(H,16,19).
What are the key properties of N-(3-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide?
N-(3-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 78854787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).