(2S)-3-cyclopropyl-2-imidazo[1,2-a]pyridin-2-yl-1,2-dihydroquinazolin-4-one

C18H16N4O — CID 94821654

IUPAC(2S)-3-cyclopropyl-2-imidazo[1,2-a]pyridin-2-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@H](c2cn3ccccc3n2)N1C1CC1
InChIInChI=1S/C18H16N4O/c23-18-13-5-1-2-6-14(13)20-17(22(18)12-8-9-12)15-11-21-10-4-3-7-16(21)19-15/h1-7,10-12,17,20H,8-9H2/t17-/m0/s1
InChIKeyCCAVBDYAYAETKX-KRWDZBQOSA-N
MW304.35 g/mol
LogP3.06
Rot. Bonds2

About (2S)-3-cyclopropyl-2-imidazo[1,2-a]pyridin-2-yl-1,2-dihydroquinazolin-4-one

(2S)-3-cyclopropyl-2-imidazo[1,2-a]pyridin-2-yl-1,2-dihydroquinazolin-4-one (PubChem CID 94821654) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is (2S)-3-cyclopropyl-2-imidazo[1,2-a]pyridin-2-yl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-3-cyclopropyl-2-imidazo[1,2-a]pyridin-2-yl-1,2-dihydroquinazolin-4-one
PubChem CID94821654
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name(2S)-3-cyclopropyl-2-imidazo[1,2-a]pyridin-2-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@H](c2cn3ccccc3n2)N1C1CC1
InChIInChI=1S/C18H16N4O/c23-18-13-5-1-2-6-14(13)20-17(22(18)12-8-9-12)15-11-21-10-4-3-7-16(21)19-15/h1-7,10-12,17,20H,8-9H2/t17-/m0/s1
InChIKeyCCAVBDYAYAETKX-KRWDZBQOSA-N
XLogP3.06
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
(2R)-3-cyclopropyl-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 9008857
(2S)-3-cyclopropyl-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 9008606
(2R)-3-cyclopropyl-2-(2,3-dihydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008478
(2S)-3-cyclopropyl-2-(2,4-dihydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008561
(2S)-3-cyclopropyl-2-(4-imidazol-1-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 51429597
(2S)-3-cyclopropyl-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008682
3-cyclopropyl-2-(4-hydroxy-3,5-dimethylphenyl)-1,2-dihydroquinazolin-4-one
CID 84899990
(2R)-3-cyclopropyl-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9012085
3-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1,2-dihydroquinazolin-4-one
CID 71890961
N-[4-[(2R)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide
CID 9008576
(2S)-3-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 31521568

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopropyl-2-imidazo[1,2-a]pyridin-2-yl-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-3-cyclopropyl-2-imidazo[1,2-a]pyridin-2-yl-1,2-dihydroquinazolin-4-one (CID 94821654) is (2S)-3-cyclopropyl-2-imidazo[1,2-a]pyridin-2-yl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-3-cyclopropyl-2-imidazo[1,2-a]pyridin-2-yl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-3-cyclopropyl-2-imidazo[1,2-a]pyridin-2-yl-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2N[C@H](c2cn3ccccc3n2)N1C1CC1.
What is the InChIKey of (2S)-3-cyclopropyl-2-imidazo[1,2-a]pyridin-2-yl-1,2-dihydroquinazolin-4-one?
The InChIKey is CCAVBDYAYAETKX-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H16N4O/c23-18-13-5-1-2-6-14(13)20-17(22(18)12-8-9-12)15-11-21-10-4-3-7-16(21)19-15/h1-7,10-12,17,20H,8-9H2/t17-/m0/s1.
What are the key properties of (2S)-3-cyclopropyl-2-imidazo[1,2-a]pyridin-2-yl-1,2-dihydroquinazolin-4-one?
(2S)-3-cyclopropyl-2-imidazo[1,2-a]pyridin-2-yl-1,2-dihydroquinazolin-4-one has a molecular weight of 304.35 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopropyl-2-imidazo[1,2-a]pyridin-2-yl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 94821654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).