2-[3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3H-quinazolin-4-one

C21H21N3O2 — CID 135659965

IUPAC2-[3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3H-quinazolin-4-one
SMILESCc1ccc2c(c1)CCCN2C(=O)CCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C21H21N3O2/c1-14-8-9-18-15(13-14)5-4-12-24(18)20(25)11-10-19-22-17-7-3-2-6-16(17)21(26)23-19/h2-3,6-9,13H,4-5,10-12H2,1H3,(H,22,23,26)
InChIKeyDXTIBESZPYLRRI-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.14
Rot. Bonds3

About 2-[3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3H-quinazolin-4-one

2-[3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3H-quinazolin-4-one (PubChem CID 135659965) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3H-quinazolin-4-one
PubChem CID135659965
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name2-[3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3H-quinazolin-4-one
SMILESCc1ccc2c(c1)CCCN2C(=O)CCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C21H21N3O2/c1-14-8-9-18-15(13-14)5-4-12-24(18)20(25)11-10-19-22-17-7-3-2-6-16(17)21(26)23-19/h2-3,6-9,13H,4-5,10-12H2,1H3,(H,22,23,26)
InChIKeyDXTIBESZPYLRRI-UHFFFAOYSA-N
XLogP3.14
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3H-quinazolin-4-one (CID 135659965) is 2-[3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3H-quinazolin-4-one is Cc1ccc2c(c1)CCCN2C(=O)CCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3H-quinazolin-4-one?
The InChIKey is DXTIBESZPYLRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14-8-9-18-15(13-14)5-4-12-24(18)20(25)11-10-19-22-17-7-3-2-6-16(17)21(26)23-19/h2-3,6-9,13H,4-5,10-12H2,1H3,(H,22,23,26).
What are the key properties of 2-[3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3H-quinazolin-4-one?
2-[3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3H-quinazolin-4-one has a molecular weight of 347.42 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135659965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).