N-[(2-chlorophenyl)methyl]-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide

C19H19ClN4O — CID 3447593

IUPACN-[(2-chlorophenyl)methyl]-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide
SMILESCc1c2c(nc3c(C(=O)NCc4ccccc4Cl)cnn13)CCCC2
InChIInChI=1S/C19H19ClN4O/c1-12-14-7-3-5-9-17(14)23-18-15(11-22-24(12)18)19(25)21-10-13-6-2-4-8-16(13)20/h2,4,6,8,11H,3,5,7,9-10H2,1H3,(H,21,25)
InChIKeyDHGYTKMZRMKLIH-UHFFFAOYSA-N
MW354.84 g/mol
LogP3.50
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide

N-[(2-chlorophenyl)methyl]-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide (PubChem CID 3447593) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide
PubChem CID3447593
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC NameN-[(2-chlorophenyl)methyl]-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide
SMILESCc1c2c(nc3c(C(=O)NCc4ccccc4Cl)cnn13)CCCC2
InChIInChI=1S/C19H19ClN4O/c1-12-14-7-3-5-9-17(14)23-18-15(11-22-24(12)18)19(25)21-10-13-6-2-4-8-16(13)20/h2,4,6,8,11H,3,5,7,9-10H2,1H3,(H,21,25)
InChIKeyDHGYTKMZRMKLIH-UHFFFAOYSA-N
XLogP3.50
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide (CID 3447593) is N-[(2-chlorophenyl)methyl]-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide is Cc1c2c(nc3c(C(=O)NCc4ccccc4Cl)cnn13)CCCC2.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide?
The InChIKey is DHGYTKMZRMKLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-12-14-7-3-5-9-17(14)23-18-15(11-22-24(12)18)19(25)21-10-13-6-2-4-8-16(13)20/h2,4,6,8,11H,3,5,7,9-10H2,1H3,(H,21,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide?
N-[(2-chlorophenyl)methyl]-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide has a molecular weight of 354.84 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide is sourced from PubChem (CID 3447593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).