2-methyl-3-naphthalen-1-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one

C21H19N3O — CID 870320

IUPAC2-methyl-3-naphthalen-1-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
SMILESCc1[nH]n2c(=O)c3c(nc2c1-c1cccc2ccccc12)CCCC3
InChIInChI=1S/C21H19N3O/c1-13-19(16-11-6-8-14-7-2-3-9-15(14)16)20-22-18-12-5-4-10-17(18)21(25)24(20)23-13/h2-3,6-9,11,23H,4-5,10,12H2,1H3
InChIKeyKPJVEXYGVLFSKD-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.03
Rot. Bonds1

About 2-methyl-3-naphthalen-1-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one

2-methyl-3-naphthalen-1-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one (PubChem CID 870320) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-methyl-3-naphthalen-1-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one.

Molecular Properties

Compound Name2-methyl-3-naphthalen-1-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
PubChem CID870320
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name2-methyl-3-naphthalen-1-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
SMILESCc1[nH]n2c(=O)c3c(nc2c1-c1cccc2ccccc12)CCCC3
InChIInChI=1S/C21H19N3O/c1-13-19(16-11-6-8-14-7-2-3-9-15(14)16)20-22-18-12-5-4-10-17(18)21(25)24(20)23-13/h2-3,6-9,11,23H,4-5,10,12H2,1H3
InChIKeyKPJVEXYGVLFSKD-UHFFFAOYSA-N
XLogP4.03
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-naphthalen-1-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?
The IUPAC name of 2-methyl-3-naphthalen-1-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one (CID 870320) is 2-methyl-3-naphthalen-1-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one.
What is the SMILES notation for 2-methyl-3-naphthalen-1-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?
The canonical SMILES for 2-methyl-3-naphthalen-1-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one is Cc1[nH]n2c(=O)c3c(nc2c1-c1cccc2ccccc12)CCCC3.
What is the InChIKey of 2-methyl-3-naphthalen-1-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?
The InChIKey is KPJVEXYGVLFSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-13-19(16-11-6-8-14-7-2-3-9-15(14)16)20-22-18-12-5-4-10-17(18)21(25)24(20)23-13/h2-3,6-9,11,23H,4-5,10,12H2,1H3.
What are the key properties of 2-methyl-3-naphthalen-1-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?
2-methyl-3-naphthalen-1-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one has a molecular weight of 329.40 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-naphthalen-1-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one is sourced from PubChem (CID 870320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).