5-chloro-3-methyl-1-quinolin-3-yl-3,4-dihydroquinolin-2-one

C19H15ClN2O — CID 71426575

IUPAC5-chloro-3-methyl-1-quinolin-3-yl-3,4-dihydroquinolin-2-one
SMILESCC1Cc2c(Cl)cccc2N(c2cnc3ccccc3c2)C1=O
InChIInChI=1S/C19H15ClN2O/c1-12-9-15-16(20)6-4-8-18(15)22(19(12)23)14-10-13-5-2-3-7-17(13)21-11-14/h2-8,10-12H,9H2,1H3
InChIKeyBERYAYYBKAVLFX-UHFFFAOYSA-N
MW322.80 g/mol
LogP4.75
Rot. Bonds1

About 5-chloro-3-methyl-1-quinolin-3-yl-3,4-dihydroquinolin-2-one

5-chloro-3-methyl-1-quinolin-3-yl-3,4-dihydroquinolin-2-one (PubChem CID 71426575) has the molecular formula C19H15ClN2O and a molecular weight of 322.80 g/mol. Its IUPAC name is 5-chloro-3-methyl-1-quinolin-3-yl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name5-chloro-3-methyl-1-quinolin-3-yl-3,4-dihydroquinolin-2-one
PubChem CID71426575
Molecular FormulaC19H15ClN2O
Molecular Weight322.80 g/mol
Exact Mass322.09
IUPAC Name5-chloro-3-methyl-1-quinolin-3-yl-3,4-dihydroquinolin-2-one
SMILESCC1Cc2c(Cl)cccc2N(c2cnc3ccccc3c2)C1=O
InChIInChI=1S/C19H15ClN2O/c1-12-9-15-16(20)6-4-8-18(15)22(19(12)23)14-10-13-5-2-3-7-17(13)21-11-14/h2-8,10-12H,9H2,1H3
InChIKeyBERYAYYBKAVLFX-UHFFFAOYSA-N
XLogP4.75
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-1-quinolin-3-yl-3,4-dihydroquinolin-2-one?
The IUPAC name of 5-chloro-3-methyl-1-quinolin-3-yl-3,4-dihydroquinolin-2-one (CID 71426575) is 5-chloro-3-methyl-1-quinolin-3-yl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 5-chloro-3-methyl-1-quinolin-3-yl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 5-chloro-3-methyl-1-quinolin-3-yl-3,4-dihydroquinolin-2-one is CC1Cc2c(Cl)cccc2N(c2cnc3ccccc3c2)C1=O.
What is the InChIKey of 5-chloro-3-methyl-1-quinolin-3-yl-3,4-dihydroquinolin-2-one?
The InChIKey is BERYAYYBKAVLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O/c1-12-9-15-16(20)6-4-8-18(15)22(19(12)23)14-10-13-5-2-3-7-17(13)21-11-14/h2-8,10-12H,9H2,1H3.
What are the key properties of 5-chloro-3-methyl-1-quinolin-3-yl-3,4-dihydroquinolin-2-one?
5-chloro-3-methyl-1-quinolin-3-yl-3,4-dihydroquinolin-2-one has a molecular weight of 322.80 g/mol, XLogP of 4.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-1-quinolin-3-yl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 71426575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).