(3Z)-2-amino-3-(1-aminoethylidene)-7,7-dimethyl-4-pyridin-2-yl-6,8-dihydro-4H-quinolin-5-one

C18H22N4O — CID 144606883

IUPAC(3Z)-2-amino-3-(1-aminoethylidene)-7,7-dimethyl-4-pyridin-2-yl-6,8-dihydro-4H-quinolin-5-one
SMILESC/C(N)=C1/C(N)=NC2=C(C(=O)CC(C)(C)C2)C1c1ccccn1
InChIInChI=1S/C18H22N4O/c1-10(19)14-16(11-6-4-5-7-21-11)15-12(22-17(14)20)8-18(2,3)9-13(15)23/h4-7,16H,8-9,19H2,1-3H3,(H2,20,22)/b14-10-
InChIKeyXNTDRFAPIGWCBJ-UVTDQMKNSA-N
MW310.40 g/mol
LogP2.41
Rot. Bonds1

About (3Z)-2-amino-3-(1-aminoethylidene)-7,7-dimethyl-4-pyridin-2-yl-6,8-dihydro-4H-quinolin-5-one

(3Z)-2-amino-3-(1-aminoethylidene)-7,7-dimethyl-4-pyridin-2-yl-6,8-dihydro-4H-quinolin-5-one (PubChem CID 144606883) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is (3Z)-2-amino-3-(1-aminoethylidene)-7,7-dimethyl-4-pyridin-2-yl-6,8-dihydro-4H-quinolin-5-one.

Molecular Properties

Compound Name(3Z)-2-amino-3-(1-aminoethylidene)-7,7-dimethyl-4-pyridin-2-yl-6,8-dihydro-4H-quinolin-5-one
PubChem CID144606883
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name(3Z)-2-amino-3-(1-aminoethylidene)-7,7-dimethyl-4-pyridin-2-yl-6,8-dihydro-4H-quinolin-5-one
SMILESC/C(N)=C1/C(N)=NC2=C(C(=O)CC(C)(C)C2)C1c1ccccn1
InChIInChI=1S/C18H22N4O/c1-10(19)14-16(11-6-4-5-7-21-11)15-12(22-17(14)20)8-18(2,3)9-13(15)23/h4-7,16H,8-9,19H2,1-3H3,(H2,20,22)/b14-10-
InChIKeyXNTDRFAPIGWCBJ-UVTDQMKNSA-N
XLogP2.41
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3Z)-2-amino-3-(1-aminoethylidene)-7,7-dimethyl-4-pyridin-2-yl-6,8-dihydro-4H-quinolin-5-one with MolForge

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Launch Full Analysis

Related Compounds

CID 70432707
CID 70432707
sodium;5,5-dimethyl-2-pyridin-2-ylcyclohexane-1,3-dione;hydride
CID 173406675
(3E)-2-amino-4-[4-(benzenesulfonyl)phenyl]-3-[hydroxy-(4-methylphenyl)methylidene]-7,7-dimethyl-6,8-dihydro-4H-quinolin-5-one
CID 166034053
(4S)-1-tert-butyl-3,7,7-trimethyl-4-pyridin-2-yl-4,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one
CID 136842700
(6S)-5-acetyl-9,9-dimethyl-6-pyridin-2-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
CID 1360381
(4R)-3,7,7-trimethyl-1-(4-methylphenyl)-4-pyridin-2-yl-4,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one
CID 135914082
pentyl 2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 3105817
(6R)-3,9,9-trimethyl-6-pyridin-2-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
CID 40513080
methyl (4S)-2,7,7-trimethyl-5-oxo-4-pyridin-4-yl-3,4,6,8-tetrahydroquinoline-3-carboxylate
CID 6936348
(6R)-9,9-dimethyl-5-propanoyl-6-pyridin-2-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
CID 1117894
9,9-dimethyl-5-propanoyl-6-pyridin-2-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
CID 2870726
(4S)-2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 92848707

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-amino-3-(1-aminoethylidene)-7,7-dimethyl-4-pyridin-2-yl-6,8-dihydro-4H-quinolin-5-one?
The IUPAC name of (3Z)-2-amino-3-(1-aminoethylidene)-7,7-dimethyl-4-pyridin-2-yl-6,8-dihydro-4H-quinolin-5-one (CID 144606883) is (3Z)-2-amino-3-(1-aminoethylidene)-7,7-dimethyl-4-pyridin-2-yl-6,8-dihydro-4H-quinolin-5-one.
What is the SMILES notation for (3Z)-2-amino-3-(1-aminoethylidene)-7,7-dimethyl-4-pyridin-2-yl-6,8-dihydro-4H-quinolin-5-one?
The canonical SMILES for (3Z)-2-amino-3-(1-aminoethylidene)-7,7-dimethyl-4-pyridin-2-yl-6,8-dihydro-4H-quinolin-5-one is C/C(N)=C1/C(N)=NC2=C(C(=O)CC(C)(C)C2)C1c1ccccn1.
What is the InChIKey of (3Z)-2-amino-3-(1-aminoethylidene)-7,7-dimethyl-4-pyridin-2-yl-6,8-dihydro-4H-quinolin-5-one?
The InChIKey is XNTDRFAPIGWCBJ-UVTDQMKNSA-N. The full InChI is InChI=1S/C18H22N4O/c1-10(19)14-16(11-6-4-5-7-21-11)15-12(22-17(14)20)8-18(2,3)9-13(15)23/h4-7,16H,8-9,19H2,1-3H3,(H2,20,22)/b14-10-.
What are the key properties of (3Z)-2-amino-3-(1-aminoethylidene)-7,7-dimethyl-4-pyridin-2-yl-6,8-dihydro-4H-quinolin-5-one?
(3Z)-2-amino-3-(1-aminoethylidene)-7,7-dimethyl-4-pyridin-2-yl-6,8-dihydro-4H-quinolin-5-one has a molecular weight of 310.40 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-amino-3-(1-aminoethylidene)-7,7-dimethyl-4-pyridin-2-yl-6,8-dihydro-4H-quinolin-5-one is sourced from PubChem (CID 144606883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).