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

C25H22N4O2 — CID 9291578

IUPAC(2R)-3-cyclopropyl-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2ccc(OCc3cn4ccccc4n3)cc2)N1C1CC1
InChIInChI=1S/C25H22N4O2/c30-25-21-5-1-2-6-22(21)27-24(29(25)19-10-11-19)17-8-12-20(13-9-17)31-16-18-15-28-14-4-3-7-23(28)26-18/h1-9,12-15,19,24,27H,10-11,16H2/t24-/m1/s1
InChIKeyZWCYCRCKNQPOJG-XMMPIXPASA-N
MW410.48 g/mol
LogP4.64
Rot. Bonds5

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

(2R)-3-cyclopropyl-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one (PubChem CID 9291578) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is (2R)-3-cyclopropyl-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-3-cyclopropyl-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one
PubChem CID9291578
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name(2R)-3-cyclopropyl-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2ccc(OCc3cn4ccccc4n3)cc2)N1C1CC1
InChIInChI=1S/C25H22N4O2/c30-25-21-5-1-2-6-22(21)27-24(29(25)19-10-11-19)17-8-12-20(13-9-17)31-16-18-15-28-14-4-3-7-23(28)26-18/h1-9,12-15,19,24,27H,10-11,16H2/t24-/m1/s1
InChIKeyZWCYCRCKNQPOJG-XMMPIXPASA-N
XLogP4.64
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-3-cyclopropyl-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-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
(2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 41082837
(2S)-3-cyclopropyl-2-imidazo[1,2-a]pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 94821654
(2R)-3-cyclopropyl-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008911
(2S)-3-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1,2-dihydroquinazolin-4-one
CID 41138450
2-(phenoxymethyl)imidazo[1,2-a]pyridine
CID 4702052
(2S)-3-cyclopropyl-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 9008606
(2R)-3-cyclopropyl-2-(6-methoxynaphthalen-2-yl)-1,2-dihydroquinazolin-4-one
CID 9008726
4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile
CID 852438
(2S)-3-cyclopropyl-2-[4-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 9008618
(2R)-3-methyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-1,2-dihydroquinazolin-4-one
CID 31663079
(2S)-3-cyclopropyl-2-(4-imidazol-1-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 51429597

Frequently Asked Questions

What is the IUPAC name of (2R)-3-cyclopropyl-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-3-cyclopropyl-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one (CID 9291578) is (2R)-3-cyclopropyl-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-3-cyclopropyl-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-3-cyclopropyl-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2N[C@@H](c2ccc(OCc3cn4ccccc4n3)cc2)N1C1CC1.
What is the InChIKey of (2R)-3-cyclopropyl-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one?
The InChIKey is ZWCYCRCKNQPOJG-XMMPIXPASA-N. The full InChI is InChI=1S/C25H22N4O2/c30-25-21-5-1-2-6-22(21)27-24(29(25)19-10-11-19)17-8-12-20(13-9-17)31-16-18-15-28-14-4-3-7-23(28)26-18/h1-9,12-15,19,24,27H,10-11,16H2/t24-/m1/s1.
What are the key properties of (2R)-3-cyclopropyl-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one?
(2R)-3-cyclopropyl-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one has a molecular weight of 410.48 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-cyclopropyl-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 9291578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).