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

C15H15ClN6O2 — CID 71660780

IUPAC4-(4-chloro-1H-pyrazol-5-yl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-4,6,7,8-tetrahydro-1H-quinazolin-5-one
SMILESCc1cc(NC2=NC(c3[nH]ncc3Cl)C3=C(CCCC3=O)N2)no1
InChIInChI=1S/C15H15ClN6O2/c1-7-5-11(22-24-7)19-15-18-9-3-2-4-10(23)12(9)14(20-15)13-8(16)6-17-21-13/h5-6,14H,2-4H2,1H3,(H,17,21)(H2,18,19,20,22)
InChIKeyQALJQGKSZVPKEI-UHFFFAOYSA-N
MW346.78 g/mol
LogP2.48
Rot. Bonds2

About 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

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 (PubChem CID 71660780) has the molecular formula C15H15ClN6O2 and a molecular weight of 346.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(4-chloro-1H-pyrazol-5-yl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-4,6,7,8-tetrahydro-1H-quinazolin-5-one
PubChem CID71660780
Molecular FormulaC15H15ClN6O2
Molecular Weight346.78 g/mol
Exact Mass346.09
IUPAC Name4-(4-chloro-1H-pyrazol-5-yl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-4,6,7,8-tetrahydro-1H-quinazolin-5-one
SMILESCc1cc(NC2=NC(c3[nH]ncc3Cl)C3=C(CCCC3=O)N2)no1
InChIInChI=1S/C15H15ClN6O2/c1-7-5-11(22-24-7)19-15-18-9-3-2-4-10(23)12(9)14(20-15)13-8(16)6-17-21-13/h5-6,14H,2-4H2,1H3,(H,17,21)(H2,18,19,20,22)
InChIKeyQALJQGKSZVPKEI-UHFFFAOYSA-N
XLogP2.48
TPSA108.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.78
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
(4S)-4-(3-chlorophenyl)-3-methyl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
CID 135899877
2,6-dichloro-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-diamine
CID 15294526
1-(5-methyl-1,2-oxazol-3-yl)-N-(1H-pyrazol-5-yl)methanesulfonamide
CID 61394269
N-(5-methyl-1,2-oxazol-3-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43401158
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)piperidine-1,4-dicarboxamide
CID 127597421
N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
CID 135831501
(4S)-3-methyl-4-(3,4,5-trimethoxyphenyl)-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
CID 135899884
4-(2,3-dichlorophenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 24615386
3-N-cyclopropyl-5-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine
CID 112939479
methyl (4S)-4-[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 51552436
4-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
CID 135653491

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(NC2=NC(c3[nH]ncc3Cl)C3=C(CCCC3=O)N2)no1.
What is the InChIKey of 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?
The InChIKey is QALJQGKSZVPKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6O2/c1-7-5-11(22-24-7)19-15-18-9-3-2-4-10(23)12(9)14(20-15)13-8(16)6-17-21-13/h5-6,14H,2-4H2,1H3,(H,17,21)(H2,18,19,20,22).
What are the key properties of 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?
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 has a molecular weight of 346.78 g/mol, XLogP of 2.48, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 71660780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).