3-(3-bromoanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one

C18H19BrN2O — CID 109034965

IUPAC3-(3-bromoanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESO=C(CCNc1cccc(Br)c1)N1CCCc2ccccc21
InChIInChI=1S/C18H19BrN2O/c19-15-7-3-8-16(13-15)20-11-10-18(22)21-12-4-6-14-5-1-2-9-17(14)21/h1-3,5,7-9,13,20H,4,6,10-12H2
InChIKeySAOLSDSRUAVHJR-UHFFFAOYSA-N
MW359.27 g/mol
LogP4.23
Rot. Bonds4

About 3-(3-bromoanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one

3-(3-bromoanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one (PubChem CID 109034965) has the molecular formula C18H19BrN2O and a molecular weight of 359.27 g/mol. Its IUPAC name is 3-(3-bromoanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-bromoanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
PubChem CID109034965
Molecular FormulaC18H19BrN2O
Molecular Weight359.27 g/mol
Exact Mass358.07
IUPAC Name3-(3-bromoanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESO=C(CCNc1cccc(Br)c1)N1CCCc2ccccc21
InChIInChI=1S/C18H19BrN2O/c19-15-7-3-8-16(13-15)20-11-10-18(22)21-12-4-6-14-5-1-2-9-17(14)21/h1-3,5,7-9,13,20H,4,6,10-12H2
InChIKeySAOLSDSRUAVHJR-UHFFFAOYSA-N
XLogP4.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzonitrile
CID 109034990
1-(2,3-dihydroindol-1-yl)-3-(3-fluoroanilino)propan-1-one
CID 109034782
2-(3-bromophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 100699588
3-(3-bromoanilino)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 109024494
1-(2,3-dihydroindol-1-yl)-3-(3-methoxyanilino)propan-1-one
CID 109034751
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
methyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate
CID 109034949
3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836165
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-phenylethylamino)propan-1-one
CID 109024285
3-(carbamoylamino)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide
CID 154773989
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-methoxy-5-methylanilino)propan-1-one
CID 47877423
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]sulfanylpropan-1-one
CID 3609864

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromoanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The IUPAC name of 3-(3-bromoanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one (CID 109034965) is 3-(3-bromoanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one.
What is the SMILES notation for 3-(3-bromoanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The canonical SMILES for 3-(3-bromoanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one is O=C(CCNc1cccc(Br)c1)N1CCCc2ccccc21.
What is the InChIKey of 3-(3-bromoanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The InChIKey is SAOLSDSRUAVHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O/c19-15-7-3-8-16(13-15)20-11-10-18(22)21-12-4-6-14-5-1-2-9-17(14)21/h1-3,5,7-9,13,20H,4,6,10-12H2.
What are the key properties of 3-(3-bromoanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
3-(3-bromoanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one has a molecular weight of 359.27 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromoanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one is sourced from PubChem (CID 109034965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).