N-(1-hydroxypentan-2-yl)quinazoline-7-carboxamide

C14H17N3O2 — CID 140575321

IUPACN-(1-hydroxypentan-2-yl)quinazoline-7-carboxamide
SMILESCCCC(CO)NC(=O)c1ccc2cncnc2c1
InChIInChI=1S/C14H17N3O2/c1-2-3-12(8-18)17-14(19)10-4-5-11-7-15-9-16-13(11)6-10/h4-7,9,12,18H,2-3,8H2,1H3,(H,17,19)
InChIKeyILJPMSKLOJMSLI-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.52
Rot. Bonds5

About N-(1-hydroxypentan-2-yl)quinazoline-7-carboxamide

N-(1-hydroxypentan-2-yl)quinazoline-7-carboxamide (PubChem CID 140575321) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(1-hydroxypentan-2-yl)quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypentan-2-yl)quinazoline-7-carboxamide
PubChem CID140575321
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(1-hydroxypentan-2-yl)quinazoline-7-carboxamide
SMILESCCCC(CO)NC(=O)c1ccc2cncnc2c1
InChIInChI=1S/C14H17N3O2/c1-2-3-12(8-18)17-14(19)10-4-5-11-7-15-9-16-13(11)6-10/h4-7,9,12,18H,2-3,8H2,1H3,(H,17,19)
InChIKeyILJPMSKLOJMSLI-UHFFFAOYSA-N
XLogP1.52
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopentylamino)-N-[(2S)-1-hydroxypentan-2-yl]quinazoline-7-carboxamide
CID 58082625
N-(2-methylpropyl)quinazoline-7-carboxamide
CID 122423883
1-N,3-N,5-N-tri(heptan-4-yl)benzene-1,3,5-tricarboxamide
CID 70884493
N-octan-4-yl-1H-indole-6-carboxamide
CID 106025028
N-[(1S)-2-(cyclohexylamino)-2-hydroxy-1-phenylethyl]quinazoline-7-carboxamide
CID 140575312
N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]-2-(cyclopentylamino)quinazoline-7-carboxamide
CID 58082314
N-(1-hydroxy-4-methoxybutan-2-yl)-3,4-dimethylbenzamide
CID 114211261
N-hexan-3-yl-1H-indole-5-carboxamide
CID 63718470
N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-6-carboxamide
CID 103920171
4-tert-butyl-N-heptan-4-ylbenzamide
CID 138525805
2-amino-N-(1-methoxypentan-2-yl)-1,3-benzothiazole-6-carboxamide
CID 65349221
2-(chloromethyl)-N-octan-4-yl-1,3-benzoxazole-5-carboxamide
CID 138509734

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypentan-2-yl)quinazoline-7-carboxamide?
The IUPAC name of N-(1-hydroxypentan-2-yl)quinazoline-7-carboxamide (CID 140575321) is N-(1-hydroxypentan-2-yl)quinazoline-7-carboxamide.
What is the SMILES notation for N-(1-hydroxypentan-2-yl)quinazoline-7-carboxamide?
The canonical SMILES for N-(1-hydroxypentan-2-yl)quinazoline-7-carboxamide is CCCC(CO)NC(=O)c1ccc2cncnc2c1.
What is the InChIKey of N-(1-hydroxypentan-2-yl)quinazoline-7-carboxamide?
The InChIKey is ILJPMSKLOJMSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-3-12(8-18)17-14(19)10-4-5-11-7-15-9-16-13(11)6-10/h4-7,9,12,18H,2-3,8H2,1H3,(H,17,19).
What are the key properties of N-(1-hydroxypentan-2-yl)quinazoline-7-carboxamide?
N-(1-hydroxypentan-2-yl)quinazoline-7-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypentan-2-yl)quinazoline-7-carboxamide is sourced from PubChem (CID 140575321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).