(2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one

C27H26N4O3 — CID 41082837

IUPAC(2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@H](c2ccc(OCc3cn4ccccc4n3)cc2)N1C[C@@H]1CCCO1
InChIInChI=1S/C27H26N4O3/c32-27-23-7-1-2-8-24(23)29-26(31(27)17-22-6-5-15-33-22)19-10-12-21(13-11-19)34-18-20-16-30-14-4-3-9-25(30)28-20/h1-4,7-14,16,22,26,29H,5-6,15,17-18H2/t22-,26-/m0/s1
InChIKeyFYNZPXMWYGWWLH-NVQXNPDNSA-N
MW454.53 g/mol
LogP4.66
Rot. Bonds6

About (2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one

(2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one (PubChem CID 41082837) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is (2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
PubChem CID41082837
Molecular FormulaC27H26N4O3
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC Name(2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@H](c2ccc(OCc3cn4ccccc4n3)cc2)N1C[C@@H]1CCCO1
InChIInChI=1S/C27H26N4O3/c32-27-23-7-1-2-8-24(23)29-26(31(27)17-22-6-5-15-33-22)19-10-12-21(13-11-19)34-18-20-16-30-14-4-3-9-25(30)28-20/h1-4,7-14,16,22,26,29H,5-6,15,17-18H2/t22-,26-/m0/s1
InChIKeyFYNZPXMWYGWWLH-NVQXNPDNSA-N
XLogP4.66
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one with MolForge

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Related Compounds

(2R)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one
CID 41173305
(2R)-2-(4-ethoxyphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 25384421
(2R)-3-cyclopropyl-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 9291578
3-(oxolan-2-ylmethyl)-2-[4-(2-phenoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54780068
(2R)-2-(4-methoxyphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 41038616
2-[4-(2-methylprop-2-enoxy)phenyl]-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 54780101
(2R)-2-(4-ethylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 25384441
methyl 4-[(2R)-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-2-yl]benzoate
CID 25337703
3-(oxolan-2-ylmethyl)-2-(4-piperidin-1-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 24512406
2-(2-butoxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 54779736
(2R)-2-naphthalen-1-yl-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 26638752
3-(oxolan-2-ylmethyl)-2-(2-propoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54779735

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one (CID 41082837) is (2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2N[C@H](c2ccc(OCc3cn4ccccc4n3)cc2)N1C[C@@H]1CCCO1.
What is the InChIKey of (2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one?
The InChIKey is FYNZPXMWYGWWLH-NVQXNPDNSA-N. The full InChI is InChI=1S/C27H26N4O3/c32-27-23-7-1-2-8-24(23)29-26(31(27)17-22-6-5-15-33-22)19-10-12-21(13-11-19)34-18-20-16-30-14-4-3-9-25(30)28-20/h1-4,7-14,16,22,26,29H,5-6,15,17-18H2/t22-,26-/m0/s1.
What are the key properties of (2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one?
(2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one has a molecular weight of 454.53 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 41082837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).