3-hydroxy-2-quinolin-6-yl-1H-quinolin-4-one

C18H12N2O2 — CID 175227633

IUPAC3-hydroxy-2-quinolin-6-yl-1H-quinolin-4-one
SMILESO=c1c(O)c(-c2ccc3ncccc3c2)[nH]c2ccccc12
InChIInChI=1S/C18H12N2O2/c21-17-13-5-1-2-6-15(13)20-16(18(17)22)12-7-8-14-11(10-12)4-3-9-19-14/h1-10,22H,(H,20,21)
InChIKeyKTUCRZGWJBRUKF-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.45
Rot. Bonds1

About 3-hydroxy-2-quinolin-6-yl-1H-quinolin-4-one

3-hydroxy-2-quinolin-6-yl-1H-quinolin-4-one (PubChem CID 175227633) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-hydroxy-2-quinolin-6-yl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-quinolin-6-yl-1H-quinolin-4-one
PubChem CID175227633
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name3-hydroxy-2-quinolin-6-yl-1H-quinolin-4-one
SMILESO=c1c(O)c(-c2ccc3ncccc3c2)[nH]c2ccccc12
InChIInChI=1S/C18H12N2O2/c21-17-13-5-1-2-6-15(13)20-16(18(17)22)12-7-8-14-11(10-12)4-3-9-19-14/h1-10,22H,(H,20,21)
InChIKeyKTUCRZGWJBRUKF-UHFFFAOYSA-N
XLogP3.45
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-{4-[({3-[3-Benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl}amino)methyl]phenyl}-2,2-difluoroacetic acid
CID 11169139
{4-[({3-[3-Benzoyl-8-(Trifluoromethyl)Quinolin-4-yl]Phenyl}Amino)Methyl]Phenyl}Acetic Acid
CID 11191949
2-[4-({[3-(3-Benzoyl-8-methylquinolin-4-yl)phenyl]amino}methyl)phenyl]acetic acid
CID 23648472
2-[4-({[3-(3-Benzoyl-8-fluoroquinolin-4-yl)phenyl]amino}methyl)phenyl]acetic acid
CID 23648473
2-[4-({[3-(3-Benzoylquinolin-4-yl)phenyl]amino}methyl)phenyl]acetic acid
CID 23648474
2-{3-[({3-[3-Benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl}amino)methyl]phenyl}acetic acid
CID 23648477
2-{4-[({3-[3-Benzoyl-8-(Trifluoromethyl)Quinolin-4-yl]Phenyl}Amino)Methyl]Phenyl}Propanoic Acid
CID 23648481
2-{4-[({3-[3-Benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl}amino)methyl]phenyl}ethan-1-ol
CID 23648485
N-(3-acetamidophenyl)quinoline-8-carboxamide
CID 9206616
N-(4-hydroxycyclohexyl)quinoline-8-carboxamide
CID 9268568
1-(8-Hydroxymethyl-4-o-tolylamino-quinolin-3-yl)-2-methyl-propan-1-one
CID 10246289
3-Butyryl-4-(2-methylphenylamino)quinoline
CID 10380322

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-quinolin-6-yl-1H-quinolin-4-one?
The IUPAC name of 3-hydroxy-2-quinolin-6-yl-1H-quinolin-4-one (CID 175227633) is 3-hydroxy-2-quinolin-6-yl-1H-quinolin-4-one.
What is the SMILES notation for 3-hydroxy-2-quinolin-6-yl-1H-quinolin-4-one?
The canonical SMILES for 3-hydroxy-2-quinolin-6-yl-1H-quinolin-4-one is O=c1c(O)c(-c2ccc3ncccc3c2)[nH]c2ccccc12.
What is the InChIKey of 3-hydroxy-2-quinolin-6-yl-1H-quinolin-4-one?
The InChIKey is KTUCRZGWJBRUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c21-17-13-5-1-2-6-15(13)20-16(18(17)22)12-7-8-14-11(10-12)4-3-9-19-14/h1-10,22H,(H,20,21).
What are the key properties of 3-hydroxy-2-quinolin-6-yl-1H-quinolin-4-one?
3-hydroxy-2-quinolin-6-yl-1H-quinolin-4-one has a molecular weight of 288.31 g/mol, XLogP of 3.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-quinolin-6-yl-1H-quinolin-4-one is sourced from PubChem (CID 175227633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).