1-(7-chloroquinolin-4-yl)propan-1-one

C12H10ClNO — CID 139684148

IUPAC1-(7-chloroquinolin-4-yl)propan-1-one
SMILESCCC(=O)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C12H10ClNO/c1-2-12(15)10-5-6-14-11-7-8(13)3-4-9(10)11/h3-7H,2H2,1H3
InChIKeyXTHDZKITCZJUME-UHFFFAOYSA-N
MW219.67 g/mol
LogP3.48
Rot. Bonds2

About 1-(7-chloroquinolin-4-yl)propan-1-one

1-(7-chloroquinolin-4-yl)propan-1-one (PubChem CID 139684148) has the molecular formula C12H10ClNO and a molecular weight of 219.67 g/mol. Its IUPAC name is 1-(7-chloroquinolin-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(7-chloroquinolin-4-yl)propan-1-one
PubChem CID139684148
Molecular FormulaC12H10ClNO
Molecular Weight219.67 g/mol
Exact Mass219.05
IUPAC Name1-(7-chloroquinolin-4-yl)propan-1-one
SMILESCCC(=O)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C12H10ClNO/c1-2-12(15)10-5-6-14-11-7-8(13)3-4-9(10)11/h3-7H,2H2,1H3
InChIKeyXTHDZKITCZJUME-UHFFFAOYSA-N
XLogP3.48
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-(7-chloroquinolin-4-yl)hex-3-en-2-imine
CID 177206127
N-(7-chloroquinolin-4-yl)-N-[2-(diethylamino)ethyl]propanamide
CID 20753586
4,7-dichloroquinoline
CID 6866
1-(7-chloroquinolin-4-yl)ethanone;(7-chloroquinolin-4-yl) trifluoromethanesulfonate
CID 158754838
1-[2-(4-bromo-2-pyridinyl)-4-chlorophenyl]propan-1-one
CID 174673419
7-chloro-N-ethyl-N-methylquinolin-4-amine
CID 123939218
2-[[(7-chloroquinolin-4-yl)amino]methyl]butanoic acid
CID 65223950
2-[[(7-chloroquinolin-4-yl)amino]methyl]-2-ethylbutanoic acid
CID 115430042
2-[butan-2-yl-(7-chloroquinolin-4-yl)amino]acetic acid
CID 60840202
ethyl 4-(7-chloroquinolin-4-yl)but-3-ynoate
CID 170472390
3-[(7-chloroquinolin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 113307879
7-chloro-4-(2-methylpropyl)quinoline
CID 57147452

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloroquinolin-4-yl)propan-1-one?
The IUPAC name of 1-(7-chloroquinolin-4-yl)propan-1-one (CID 139684148) is 1-(7-chloroquinolin-4-yl)propan-1-one.
What is the SMILES notation for 1-(7-chloroquinolin-4-yl)propan-1-one?
The canonical SMILES for 1-(7-chloroquinolin-4-yl)propan-1-one is CCC(=O)c1ccnc2cc(Cl)ccc12.
What is the InChIKey of 1-(7-chloroquinolin-4-yl)propan-1-one?
The InChIKey is XTHDZKITCZJUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO/c1-2-12(15)10-5-6-14-11-7-8(13)3-4-9(10)11/h3-7H,2H2,1H3.
What are the key properties of 1-(7-chloroquinolin-4-yl)propan-1-one?
1-(7-chloroquinolin-4-yl)propan-1-one has a molecular weight of 219.67 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloroquinolin-4-yl)propan-1-one is sourced from PubChem (CID 139684148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).