(2,4-dihydroxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C17H17NO3 — CID 103608124

IUPAC(2,4-dihydroxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)c1ccc(O)cc1O
InChIInChI=1S/C17H17NO3/c1-11-4-7-15-12(9-11)3-2-8-18(15)17(21)14-6-5-13(19)10-16(14)20/h4-7,9-10,19-20H,2-3,8H2,1H3
InChIKeyWEJYENUPPGWUCM-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.00
Rot. Bonds1

About (2,4-dihydroxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

(2,4-dihydroxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 103608124) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (2,4-dihydroxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dihydroxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID103608124
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(2,4-dihydroxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)c1ccc(O)cc1O
InChIInChI=1S/C17H17NO3/c1-11-4-7-15-12(9-11)3-2-8-18(15)17(21)14-6-5-13(19)10-16(14)20/h4-7,9-10,19-20H,2-3,8H2,1H3
InChIKeyWEJYENUPPGWUCM-UHFFFAOYSA-N
XLogP3.00
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dihydroxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 103955497
[6-(6-amino-2-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone
CID 123967729
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 107670570
(2,5-dimethylfuran-3-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 27212095
(2-amino-4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63109770
3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridin-4-one
CID 103337008
1-methyl-4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazole-3-carboxylic acid
CID 19498626
(5-amino-2-chlorophenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 29044601
(4-chloro-6-methyl-3-pyridinyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81228751
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyrrolidin-1-ylmethanone
CID 115578642
2-amino-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 61264398
(4-amino-1-methylpyrrol-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 43642979

Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (2,4-dihydroxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 103608124) is (2,4-dihydroxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (2,4-dihydroxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (2,4-dihydroxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1ccc2c(c1)CCCN2C(=O)c1ccc(O)cc1O.
What is the InChIKey of (2,4-dihydroxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is WEJYENUPPGWUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-11-4-7-15-12(9-11)3-2-8-18(15)17(21)14-6-5-13(19)10-16(14)20/h4-7,9-10,19-20H,2-3,8H2,1H3.
What are the key properties of (2,4-dihydroxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
(2,4-dihydroxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 283.33 g/mol, XLogP of 3.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 103608124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).