4-(4-chloro-1H-pyrazol-5-yl)-2-[(5-methoxy-1,3-benzoxazol-2-yl)amino]-4,6,7,8-tetrahydro-1H-quinazolin-5-one

C19H17ClN6O3 — CID 71660776

IUPAC4-(4-chloro-1H-pyrazol-5-yl)-2-[(5-methoxy-1,3-benzoxazol-2-yl)amino]-4,6,7,8-tetrahydro-1H-quinazolin-5-one
SMILESCOc1ccc2oc(NC3=NC(c4[nH]ncc4Cl)C4=C(CCCC4=O)N3)nc2c1
InChIInChI=1S/C19H17ClN6O3/c1-28-9-5-6-14-12(7-9)23-19(29-14)25-18-22-11-3-2-4-13(27)15(11)17(24-18)16-10(20)8-21-26-16/h5-8,17H,2-4H2,1H3,(H,21,26)(H2,22,23,24,25)
InChIKeyFKWGCSDDHPFETI-UHFFFAOYSA-N
MW412.84 g/mol
LogP3.33
Rot. Bonds3

About 4-(4-chloro-1H-pyrazol-5-yl)-2-[(5-methoxy-1,3-benzoxazol-2-yl)amino]-4,6,7,8-tetrahydro-1H-quinazolin-5-one

4-(4-chloro-1H-pyrazol-5-yl)-2-[(5-methoxy-1,3-benzoxazol-2-yl)amino]-4,6,7,8-tetrahydro-1H-quinazolin-5-one (PubChem CID 71660776) has the molecular formula C19H17ClN6O3 and a molecular weight of 412.84 g/mol. Its IUPAC name is 4-(4-chloro-1H-pyrazol-5-yl)-2-[(5-methoxy-1,3-benzoxazol-2-yl)amino]-4,6,7,8-tetrahydro-1H-quinazolin-5-one.

Molecular Properties

Compound Name4-(4-chloro-1H-pyrazol-5-yl)-2-[(5-methoxy-1,3-benzoxazol-2-yl)amino]-4,6,7,8-tetrahydro-1H-quinazolin-5-one
PubChem CID71660776
Molecular FormulaC19H17ClN6O3
Molecular Weight412.84 g/mol
Exact Mass412.11
IUPAC Name4-(4-chloro-1H-pyrazol-5-yl)-2-[(5-methoxy-1,3-benzoxazol-2-yl)amino]-4,6,7,8-tetrahydro-1H-quinazolin-5-one
SMILESCOc1ccc2oc(NC3=NC(c4[nH]ncc4Cl)C4=C(CCCC4=O)N3)nc2c1
InChIInChI=1S/C19H17ClN6O3/c1-28-9-5-6-14-12(7-9)23-19(29-14)25-18-22-11-3-2-4-13(27)15(11)17(24-18)16-10(20)8-21-26-16/h5-8,17H,2-4H2,1H3,(H,21,26)(H2,22,23,24,25)
InChIKeyFKWGCSDDHPFETI-UHFFFAOYSA-N
XLogP3.33
TPSA117.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.84
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-(4-chloro-1H-pyrazol-5-yl)-2-[(5-methoxy-1,3-benzoxazol-2-yl)amino]-4,6,7,8-tetrahydro-1H-quinazolin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-chloro-1H-pyrazol-5-yl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-4,6,7,8-tetrahydro-1H-quinazolin-5-one
CID 71660780
2-(1,3-benzoxazol-2-ylamino)-4-(2-methoxyphenyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one
CID 46926030
2-(1,3-benzoxazol-2-ylamino)-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one
CID 46926019
(4S)-2-(1,3-benzoxazol-2-ylamino)-4-(2-methoxyphenyl)-7,7-dimethyl-1,4,6,8-tetrahydroquinazolin-5-one
CID 7356874
2-N-(2-chloro-5-methoxyphenyl)-1,3-benzoxazole-2,5-diamine
CID 79890652
2-(1,3-benzoxazol-2-ylamino)-4-(3-fluorophenyl)-7,7-dimethyl-1,4,6,8-tetrahydroquinazolin-5-one
CID 4897010
(4R)-2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-pyridin-2-yl-1,4,6,8-tetrahydroquinazolin-5-one
CID 7227997
(4R)-2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-(2-methylphenyl)-1,4,6,8-tetrahydroquinazolin-5-one
CID 7368974
2-(1,3-benzoxazol-2-ylamino)-4-(2-chlorophenyl)-7-(piperazine-1-carbonyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one
CID 156898971
2-(benzo[f][1,3]benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one
CID 44623886
[1-(5-methoxy-1,3-benzoxazol-2-yl)cyclopentyl]methanamine
CID 82622742
2-(1,3-benzoxazol-2-ylamino)-4-(2-chlorophenyl)-6-(2-methylpropyl)-4,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-5-one
CID 71660759

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-1H-pyrazol-5-yl)-2-[(5-methoxy-1,3-benzoxazol-2-yl)amino]-4,6,7,8-tetrahydro-1H-quinazolin-5-one?
The IUPAC name of 4-(4-chloro-1H-pyrazol-5-yl)-2-[(5-methoxy-1,3-benzoxazol-2-yl)amino]-4,6,7,8-tetrahydro-1H-quinazolin-5-one (CID 71660776) is 4-(4-chloro-1H-pyrazol-5-yl)-2-[(5-methoxy-1,3-benzoxazol-2-yl)amino]-4,6,7,8-tetrahydro-1H-quinazolin-5-one.
What is the SMILES notation for 4-(4-chloro-1H-pyrazol-5-yl)-2-[(5-methoxy-1,3-benzoxazol-2-yl)amino]-4,6,7,8-tetrahydro-1H-quinazolin-5-one?
The canonical SMILES for 4-(4-chloro-1H-pyrazol-5-yl)-2-[(5-methoxy-1,3-benzoxazol-2-yl)amino]-4,6,7,8-tetrahydro-1H-quinazolin-5-one is COc1ccc2oc(NC3=NC(c4[nH]ncc4Cl)C4=C(CCCC4=O)N3)nc2c1.
What is the InChIKey of 4-(4-chloro-1H-pyrazol-5-yl)-2-[(5-methoxy-1,3-benzoxazol-2-yl)amino]-4,6,7,8-tetrahydro-1H-quinazolin-5-one?
The InChIKey is FKWGCSDDHPFETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O3/c1-28-9-5-6-14-12(7-9)23-19(29-14)25-18-22-11-3-2-4-13(27)15(11)17(24-18)16-10(20)8-21-26-16/h5-8,17H,2-4H2,1H3,(H,21,26)(H2,22,23,24,25).
What are the key properties of 4-(4-chloro-1H-pyrazol-5-yl)-2-[(5-methoxy-1,3-benzoxazol-2-yl)amino]-4,6,7,8-tetrahydro-1H-quinazolin-5-one?
4-(4-chloro-1H-pyrazol-5-yl)-2-[(5-methoxy-1,3-benzoxazol-2-yl)amino]-4,6,7,8-tetrahydro-1H-quinazolin-5-one has a molecular weight of 412.84 g/mol, XLogP of 3.33, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-1H-pyrazol-5-yl)-2-[(5-methoxy-1,3-benzoxazol-2-yl)amino]-4,6,7,8-tetrahydro-1H-quinazolin-5-one is sourced from PubChem (CID 71660776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).