N-(3-methylphenyl)-9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-3-carboxamide

C18H18N4O2 — CID 46295691

IUPACN-(3-methylphenyl)-9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-3-carboxamide
SMILESCc1cccc(NC(=O)c2c[nH]n3c(=O)c4c(nc23)CCCC4)c1
InChIInChI=1S/C18H18N4O2/c1-11-5-4-6-12(9-11)20-17(23)14-10-19-22-16(14)21-15-8-3-2-7-13(15)18(22)24/h4-6,9-10,19H,2-3,7-8H2,1H3,(H,20,23)
InChIKeyAOERMKJEZZAJOB-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.46
Rot. Bonds2

About N-(3-methylphenyl)-9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-3-carboxamide

N-(3-methylphenyl)-9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-3-carboxamide (PubChem CID 46295691) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(3-methylphenyl)-9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-3-carboxamide
PubChem CID46295691
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-(3-methylphenyl)-9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-3-carboxamide
SMILESCc1cccc(NC(=O)c2c[nH]n3c(=O)c4c(nc23)CCCC4)c1
InChIInChI=1S/C18H18N4O2/c1-11-5-4-6-12(9-11)20-17(23)14-10-19-22-16(14)21-15-8-3-2-7-13(15)18(22)24/h4-6,9-10,19H,2-3,7-8H2,1H3,(H,20,23)
InChIKeyAOERMKJEZZAJOB-UHFFFAOYSA-N
XLogP2.46
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-oxo-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-10-carboxamide
CID 50768718
2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(3-methylphenyl)acetamide
CID 7748031
5-methyl-7-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166277308
2-[(3-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270346
5-methyl-7-oxo-N-(3-propan-2-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50926691
2,5-dimethyl-N-(3-methylphenyl)benzamide
CID 925357
7-chloro-N-(3-methylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799652
4-methyl-N-[(Z)-N-(3-methylphenyl)-N'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)carbamimidoyl]benzamide
CID 135515813
[amino-(3-methylanilino)methylidene]-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)azanium
CID 135441043
N-(3-methylphenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide
CID 55380712
3-isocyano-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
CID 123842621
3-(4-methoxyphenyl)-N-(3-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 5142971

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-3-carboxamide?
The IUPAC name of N-(3-methylphenyl)-9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-3-carboxamide (CID 46295691) is N-(3-methylphenyl)-9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-3-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-3-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-3-carboxamide is Cc1cccc(NC(=O)c2c[nH]n3c(=O)c4c(nc23)CCCC4)c1.
What is the InChIKey of N-(3-methylphenyl)-9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-3-carboxamide?
The InChIKey is AOERMKJEZZAJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-11-5-4-6-12(9-11)20-17(23)14-10-19-22-16(14)21-15-8-3-2-7-13(15)18(22)24/h4-6,9-10,19H,2-3,7-8H2,1H3,(H,20,23).
What are the key properties of N-(3-methylphenyl)-9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-3-carboxamide?
N-(3-methylphenyl)-9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-3-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-3-carboxamide is sourced from PubChem (CID 46295691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).