(2R)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one

C25H22N4O2 — CID 41173305

IUPAC(2R)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one
SMILESC=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(OCc2cn3ccccc3n2)cc1
InChIInChI=1S/C25H22N4O2/c1-2-14-29-24(27-22-8-4-3-7-21(22)25(29)30)18-10-12-20(13-11-18)31-17-19-16-28-15-6-5-9-23(28)26-19/h2-13,15-16,24,27H,1,14,17H2/t24-/m1/s1
InChIKeyZTVCLGHCXAELGR-XMMPIXPASA-N
MW410.48 g/mol
LogP4.67
Rot. Bonds6

About (2R)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one

(2R)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one (PubChem CID 41173305) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is (2R)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one
PubChem CID41173305
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name(2R)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one
SMILESC=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(OCc2cn3ccccc3n2)cc1
InChIInChI=1S/C25H22N4O2/c1-2-14-29-24(27-22-8-4-3-7-21(22)25(29)30)18-10-12-20(13-11-18)31-17-19-16-28-15-6-5-9-23(28)26-19/h2-13,15-16,24,27H,1,14,17H2/t24-/m1/s1
InChIKeyZTVCLGHCXAELGR-XMMPIXPASA-N
XLogP4.67
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-3-cyclopropyl-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 9291578
(2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 41082837
2-[4-(2-phenylethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one
CID 54780086
2-[4-[(2R)-4-oxo-3-prop-2-enyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
CID 26638727
2-(phenoxymethyl)imidazo[1,2-a]pyridine
CID 4702052
3-prop-2-enyl-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 42915048
2-[3-(2-ethoxyethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one
CID 54779538
3-butyl-2-(4-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54780065
4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile
CID 852438
(2R)-3-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 92787600
(2S)-2-(4-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 720958
(2R)-3-methyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-1,2-dihydroquinazolin-4-one
CID 31663079

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one (CID 41173305) is (2R)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one is C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(OCc2cn3ccccc3n2)cc1.
What is the InChIKey of (2R)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one?
The InChIKey is ZTVCLGHCXAELGR-XMMPIXPASA-N. The full InChI is InChI=1S/C25H22N4O2/c1-2-14-29-24(27-22-8-4-3-7-21(22)25(29)30)18-10-12-20(13-11-18)31-17-19-16-28-15-6-5-9-23(28)26-19/h2-13,15-16,24,27H,1,14,17H2/t24-/m1/s1.
What are the key properties of (2R)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one?
(2R)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one has a molecular weight of 410.48 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 41173305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).