N-[(3-chlorophenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide

C18H17ClN4O — CID 20919208

IUPACN-[(3-chlorophenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1cnn2c3c(cnc12)CCCC3
InChIInChI=1S/C18H17ClN4O/c19-14-6-3-4-12(8-14)9-21-18(24)15-11-22-23-16-7-2-1-5-13(16)10-20-17(15)23/h3-4,6,8,10-11H,1-2,5,7,9H2,(H,21,24)
InChIKeyACSQDBXVXSKWKU-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.19
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide

N-[(3-chlorophenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide (PubChem CID 20919208) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
PubChem CID20919208
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC NameN-[(3-chlorophenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1cnn2c3c(cnc12)CCCC3
InChIInChI=1S/C18H17ClN4O/c19-14-6-3-4-12(8-14)9-21-18(24)15-11-22-23-16-7-2-1-5-13(16)10-20-17(15)23/h3-4,6,8,10-11H,1-2,5,7,9H2,(H,21,24)
InChIKeyACSQDBXVXSKWKU-UHFFFAOYSA-N
XLogP3.19
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide
CID 20919334
N-[(2-chlorophenyl)methyl]-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide
CID 20886299
N-(1,3-benzodioxol-5-ylmethyl)-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide
CID 20919369
N-(thiophen-2-ylmethyl)-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide
CID 20919339
N-(furan-2-ylmethyl)-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide
CID 20919312
N-[(2,3-dimethoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
CID 20919240
7-methyl-N-[(3-methylphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
CID 20919266
N-(3-chloro-2-methylphenyl)-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide
CID 20919318
N-[(3-methoxyphenyl)methyl]-7-methyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
CID 20919271
N-[(3-chlorophenyl)methyl]-3-oxo-8-thia-2,6-diazatricyclo[7.6.0.02,7]pentadeca-1(9),4,6-triene-4-carboxamide
CID 53029354
N-[3-(trifluoromethyl)phenyl]-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide
CID 20919301
N-(1-phenylethyl)-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide
CID 20919323

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide (CID 20919208) is N-[(3-chlorophenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide is O=C(NCc1cccc(Cl)c1)c1cnn2c3c(cnc12)CCCC3.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The InChIKey is ACSQDBXVXSKWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c19-14-6-3-4-12(8-14)9-21-18(24)15-11-22-23-16-7-2-1-5-13(16)10-20-17(15)23/h3-4,6,8,10-11H,1-2,5,7,9H2,(H,21,24).
What are the key properties of N-[(3-chlorophenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
N-[(3-chlorophenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide has a molecular weight of 340.81 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide is sourced from PubChem (CID 20919208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).