2-oxo-N-(oxolan-2-ylmethyl)-3-(2-pyridin-2-ylethyl)-1,4-dihydroquinazoline-7-carboxamide

C21H24N4O3 — CID 67173263

IUPAC2-oxo-N-(oxolan-2-ylmethyl)-3-(2-pyridin-2-ylethyl)-1,4-dihydroquinazoline-7-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc2c(c1)NC(=O)N(CCc1ccccn1)C2
InChIInChI=1S/C21H24N4O3/c26-20(23-13-18-5-3-11-28-18)15-6-7-16-14-25(21(27)24-19(16)12-15)10-8-17-4-1-2-9-22-17/h1-2,4,6-7,9,12,18H,3,5,8,10-11,13-14H2,(H,23,26)(H,24,27)
InChIKeyBWVYACUPEQPVHH-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.58
Rot. Bonds6

About 2-oxo-N-(oxolan-2-ylmethyl)-3-(2-pyridin-2-ylethyl)-1,4-dihydroquinazoline-7-carboxamide

2-oxo-N-(oxolan-2-ylmethyl)-3-(2-pyridin-2-ylethyl)-1,4-dihydroquinazoline-7-carboxamide (PubChem CID 67173263) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-oxo-N-(oxolan-2-ylmethyl)-3-(2-pyridin-2-ylethyl)-1,4-dihydroquinazoline-7-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(oxolan-2-ylmethyl)-3-(2-pyridin-2-ylethyl)-1,4-dihydroquinazoline-7-carboxamide
PubChem CID67173263
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name2-oxo-N-(oxolan-2-ylmethyl)-3-(2-pyridin-2-ylethyl)-1,4-dihydroquinazoline-7-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc2c(c1)NC(=O)N(CCc1ccccn1)C2
InChIInChI=1S/C21H24N4O3/c26-20(23-13-18-5-3-11-28-18)15-6-7-16-14-25(21(27)24-19(16)12-15)10-8-17-4-1-2-9-22-17/h1-2,4,6-7,9,12,18H,3,5,8,10-11,13-14H2,(H,23,26)(H,24,27)
InChIKeyBWVYACUPEQPVHH-UHFFFAOYSA-N
XLogP2.58
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(oxolan-2-ylmethyl)-3-(2-pyridin-2-ylethyl)-1,4-dihydroquinazoline-7-carboxamide?
The IUPAC name of 2-oxo-N-(oxolan-2-ylmethyl)-3-(2-pyridin-2-ylethyl)-1,4-dihydroquinazoline-7-carboxamide (CID 67173263) is 2-oxo-N-(oxolan-2-ylmethyl)-3-(2-pyridin-2-ylethyl)-1,4-dihydroquinazoline-7-carboxamide.
What is the SMILES notation for 2-oxo-N-(oxolan-2-ylmethyl)-3-(2-pyridin-2-ylethyl)-1,4-dihydroquinazoline-7-carboxamide?
The canonical SMILES for 2-oxo-N-(oxolan-2-ylmethyl)-3-(2-pyridin-2-ylethyl)-1,4-dihydroquinazoline-7-carboxamide is O=C(NCC1CCCO1)c1ccc2c(c1)NC(=O)N(CCc1ccccn1)C2.
What is the InChIKey of 2-oxo-N-(oxolan-2-ylmethyl)-3-(2-pyridin-2-ylethyl)-1,4-dihydroquinazoline-7-carboxamide?
The InChIKey is BWVYACUPEQPVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c26-20(23-13-18-5-3-11-28-18)15-6-7-16-14-25(21(27)24-19(16)12-15)10-8-17-4-1-2-9-22-17/h1-2,4,6-7,9,12,18H,3,5,8,10-11,13-14H2,(H,23,26)(H,24,27).
What are the key properties of 2-oxo-N-(oxolan-2-ylmethyl)-3-(2-pyridin-2-ylethyl)-1,4-dihydroquinazoline-7-carboxamide?
2-oxo-N-(oxolan-2-ylmethyl)-3-(2-pyridin-2-ylethyl)-1,4-dihydroquinazoline-7-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(oxolan-2-ylmethyl)-3-(2-pyridin-2-ylethyl)-1,4-dihydroquinazoline-7-carboxamide is sourced from PubChem (CID 67173263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).