N-(3-hydroxypropyl)-N-propan-2-ylquinoline-6-carboxamide

C16H20N2O2 — CID 62875387

IUPACN-(3-hydroxypropyl)-N-propan-2-ylquinoline-6-carboxamide
SMILESCC(C)N(CCCO)C(=O)c1ccc2ncccc2c1
InChIInChI=1S/C16H20N2O2/c1-12(2)18(9-4-10-19)16(20)14-6-7-15-13(11-14)5-3-8-17-15/h3,5-8,11-12,19H,4,9-10H2,1-2H3
InChIKeyGIRKBMCGHCEHMZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.47
Rot. Bonds5

About N-(3-hydroxypropyl)-N-propan-2-ylquinoline-6-carboxamide

N-(3-hydroxypropyl)-N-propan-2-ylquinoline-6-carboxamide (PubChem CID 62875387) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N-propan-2-ylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N-propan-2-ylquinoline-6-carboxamide
PubChem CID62875387
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(3-hydroxypropyl)-N-propan-2-ylquinoline-6-carboxamide
SMILESCC(C)N(CCCO)C(=O)c1ccc2ncccc2c1
InChIInChI=1S/C16H20N2O2/c1-12(2)18(9-4-10-19)16(20)14-6-7-15-13(11-14)5-3-8-17-15/h3,5-8,11-12,19H,4,9-10H2,1-2H3
InChIKeyGIRKBMCGHCEHMZ-UHFFFAOYSA-N
XLogP2.47
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxypropyl)-N-propan-2-yl-2H-benzotriazole-5-carboxamide
CID 54916380
N-(3-hydroxypropyl)-N-propan-2-yl-1H-indole-6-carboxamide
CID 55229836
N-(3-aminopropyl)-N-propan-2-ylquinoxaline-6-carboxamide
CID 62850042
2-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-4-carboxamide
CID 114326149
N-(5-chloropentyl)-N-methylquinoline-6-carboxamide
CID 107205485
N-(2-bromoethyl)-N-methylquinoline-6-carboxamide
CID 80658342
N-(3-hydroxypropyl)-4-iodo-N-propan-2-ylbenzamide
CID 61040122
3-[propan-2-yl(quinoxaline-6-carbonyl)amino]propanoic acid
CID 62849526
3-amino-4-bromo-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61140432
2-[ethyl(quinoline-6-carbonyl)amino]acetic acid
CID 62849704
N-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylquinoline-6-carboxamide
CID 63223594
3-[3-[3-hydroxypropyl(propan-2-yl)carbamoyl]phenyl]prop-2-enoic acid
CID 76911606

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N-propan-2-ylquinoline-6-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-N-propan-2-ylquinoline-6-carboxamide (CID 62875387) is N-(3-hydroxypropyl)-N-propan-2-ylquinoline-6-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N-propan-2-ylquinoline-6-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-N-propan-2-ylquinoline-6-carboxamide is CC(C)N(CCCO)C(=O)c1ccc2ncccc2c1.
What is the InChIKey of N-(3-hydroxypropyl)-N-propan-2-ylquinoline-6-carboxamide?
The InChIKey is GIRKBMCGHCEHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12(2)18(9-4-10-19)16(20)14-6-7-15-13(11-14)5-3-8-17-15/h3,5-8,11-12,19H,4,9-10H2,1-2H3.
What are the key properties of N-(3-hydroxypropyl)-N-propan-2-ylquinoline-6-carboxamide?
N-(3-hydroxypropyl)-N-propan-2-ylquinoline-6-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N-propan-2-ylquinoline-6-carboxamide is sourced from PubChem (CID 62875387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).