3-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzonitrile

C19H19N3O — CID 109034990

IUPAC3-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzonitrile
SMILESN#Cc1cccc(NCCC(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C19H19N3O/c20-14-15-5-3-8-17(13-15)21-11-10-19(23)22-12-4-7-16-6-1-2-9-18(16)22/h1-3,5-6,8-9,13,21H,4,7,10-12H2
InChIKeyCWMVIPDAEHRLEJ-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.34
Rot. Bonds4

About 3-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzonitrile

3-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzonitrile (PubChem CID 109034990) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzonitrile.

Molecular Properties

Compound Name3-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzonitrile
PubChem CID109034990
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name3-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzonitrile
SMILESN#Cc1cccc(NCCC(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C19H19N3O/c20-14-15-5-3-8-17(13-15)21-11-10-19(23)22-12-4-7-16-6-1-2-9-18(16)22/h1-3,5-6,8-9,13,21H,4,7,10-12H2
InChIKeyCWMVIPDAEHRLEJ-UHFFFAOYSA-N
XLogP3.34
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromoanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 109034965
1-(2,3-dihydroindol-1-yl)-3-(3-fluoroanilino)propan-1-one
CID 109034782
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-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 109335602
4-[3-[6-(benzylamino)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]benzonitrile
CID 15410779
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
4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoate
CID 3663082

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzonitrile?
The IUPAC name of 3-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzonitrile (CID 109034990) is 3-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzonitrile.
What is the SMILES notation for 3-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzonitrile?
The canonical SMILES for 3-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzonitrile is N#Cc1cccc(NCCC(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of 3-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzonitrile?
The InChIKey is CWMVIPDAEHRLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c20-14-15-5-3-8-17(13-15)21-11-10-19(23)22-12-4-7-16-6-1-2-9-18(16)22/h1-3,5-6,8-9,13,21H,4,7,10-12H2.
What are the key properties of 3-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzonitrile?
3-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzonitrile has a molecular weight of 305.38 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzonitrile is sourced from PubChem (CID 109034990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).