4-oxo-N-(oxolan-2-ylmethyl)-3H-quinazoline-2-carboxamide

C14H15N3O3 — CID 135629187

IUPAC4-oxo-N-(oxolan-2-ylmethyl)-3H-quinazoline-2-carboxamide
SMILESO=C(NCC1CCCO1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C14H15N3O3/c18-13-10-5-1-2-6-11(10)16-12(17-13)14(19)15-8-9-4-3-7-20-9/h1-2,5-6,9H,3-4,7-8H2,(H,15,19)(H,16,17,18)
InChIKeyUOCGAXREDCGFGD-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.83
Rot. Bonds3

About 4-oxo-N-(oxolan-2-ylmethyl)-3H-quinazoline-2-carboxamide

4-oxo-N-(oxolan-2-ylmethyl)-3H-quinazoline-2-carboxamide (PubChem CID 135629187) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-oxo-N-(oxolan-2-ylmethyl)-3H-quinazoline-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(oxolan-2-ylmethyl)-3H-quinazoline-2-carboxamide
PubChem CID135629187
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name4-oxo-N-(oxolan-2-ylmethyl)-3H-quinazoline-2-carboxamide
SMILESO=C(NCC1CCCO1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C14H15N3O3/c18-13-10-5-1-2-6-11(10)16-12(17-13)14(19)15-8-9-4-3-7-20-9/h1-2,5-6,9H,3-4,7-8H2,(H,15,19)(H,16,17,18)
InChIKeyUOCGAXREDCGFGD-UHFFFAOYSA-N
XLogP0.83
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135547329
N-(oxolan-2-ylmethyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 135544785
2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide
CID 2977759
2-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 25272573
2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 1294028
2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 3414776
N-(oxolan-2-ylmethyl)-1H-indazole-3-carboxamide
CID 4877074
N-(2-aminoethyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 135629189
3-[(2-chlorophenyl)methyl]-7-oxo-N-[[(2S)-oxolan-2-yl]methyl]-6H-triazolo[4,5-d]pyrimidine-5-carboxamide
CID 135624135
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
N-[[(2R)-oxolan-2-yl]methyl]-3H-benzo[e]indole-2-carboxamide
CID 39977666
N-(oxolan-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]sulfanylquinoline-4-carboxamide
CID 4080455

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(oxolan-2-ylmethyl)-3H-quinazoline-2-carboxamide?
The IUPAC name of 4-oxo-N-(oxolan-2-ylmethyl)-3H-quinazoline-2-carboxamide (CID 135629187) is 4-oxo-N-(oxolan-2-ylmethyl)-3H-quinazoline-2-carboxamide.
What is the SMILES notation for 4-oxo-N-(oxolan-2-ylmethyl)-3H-quinazoline-2-carboxamide?
The canonical SMILES for 4-oxo-N-(oxolan-2-ylmethyl)-3H-quinazoline-2-carboxamide is O=C(NCC1CCCO1)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 4-oxo-N-(oxolan-2-ylmethyl)-3H-quinazoline-2-carboxamide?
The InChIKey is UOCGAXREDCGFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-13-10-5-1-2-6-11(10)16-12(17-13)14(19)15-8-9-4-3-7-20-9/h1-2,5-6,9H,3-4,7-8H2,(H,15,19)(H,16,17,18).
What are the key properties of 4-oxo-N-(oxolan-2-ylmethyl)-3H-quinazoline-2-carboxamide?
4-oxo-N-(oxolan-2-ylmethyl)-3H-quinazoline-2-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(oxolan-2-ylmethyl)-3H-quinazoline-2-carboxamide is sourced from PubChem (CID 135629187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).