4-amino-7-ethoxyquinoline-3,6-dicarbonitrile;prop-1-ene

C16H16N4O — CID 142362259

IUPAC4-amino-7-ethoxyquinoline-3,6-dicarbonitrile;prop-1-ene
SMILESC=CC.CCOc1cc2ncc(C#N)c(N)c2cc1C#N
InChIInChI=1S/C13H10N4O.C3H6/c1-2-18-12-4-11-10(3-8(12)5-14)13(16)9(6-15)7-17-11;1-3-2/h3-4,7H,2H2,1H3,(H2,16,17);3H,1H2,2H3
InChIKeyBQRYUZSNPYPJTC-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.15
Rot. Bonds2

About 4-amino-7-ethoxyquinoline-3,6-dicarbonitrile;prop-1-ene

4-amino-7-ethoxyquinoline-3,6-dicarbonitrile;prop-1-ene (PubChem CID 142362259) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-amino-7-ethoxyquinoline-3,6-dicarbonitrile;prop-1-ene.

Molecular Properties

Compound Name4-amino-7-ethoxyquinoline-3,6-dicarbonitrile;prop-1-ene
PubChem CID142362259
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name4-amino-7-ethoxyquinoline-3,6-dicarbonitrile;prop-1-ene
SMILESC=CC.CCOc1cc2ncc(C#N)c(N)c2cc1C#N
InChIInChI=1S/C13H10N4O.C3H6/c1-2-18-12-4-11-10(3-8(12)5-14)13(16)9(6-15)7-17-11;1-3-2/h3-4,7H,2H2,1H3,(H2,16,17);3H,1H2,2H3
InChIKeyBQRYUZSNPYPJTC-UHFFFAOYSA-N
XLogP3.15
TPSA95.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-chloro-6,7-diethoxyquinoline-3-carbonitrile
CID 10778872
6-amino-7-ethoxy-4-methylquinoline-3-carbonitrile
CID 89103315
4-[(3,4-dichlorophenyl)methylamino]-6,7-diethoxyquinoline-3-carbonitrile
CID 10136640
4,7-diamino-6-nitroquinoline-3-carbonitrile
CID 141088251
4-chloro-7-ethoxy-6-(1-hydroxyethylamino)quinoline-3-carbonitrile
CID 143338014
4-(4-ethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055598
4-ethoxy-6-(1-hydroxypropyl)pyridine-3-carbonitrile
CID 163464520
4-(4-aminobutylamino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 156824049
4-[(5-amino-2-pyridinyl)oxy]-2-ethoxybenzonitrile
CID 70975984
4-amino-7-chloro-6-nitroquinoline-3-carbonitrile
CID 174425555
4-chloro-2-ethoxybenzonitrile
CID 22721189
2-amino-3-ethoxybenzonitrile
CID 82014474

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-ethoxyquinoline-3,6-dicarbonitrile;prop-1-ene?
The IUPAC name of 4-amino-7-ethoxyquinoline-3,6-dicarbonitrile;prop-1-ene (CID 142362259) is 4-amino-7-ethoxyquinoline-3,6-dicarbonitrile;prop-1-ene.
What is the SMILES notation for 4-amino-7-ethoxyquinoline-3,6-dicarbonitrile;prop-1-ene?
The canonical SMILES for 4-amino-7-ethoxyquinoline-3,6-dicarbonitrile;prop-1-ene is C=CC.CCOc1cc2ncc(C#N)c(N)c2cc1C#N.
What is the InChIKey of 4-amino-7-ethoxyquinoline-3,6-dicarbonitrile;prop-1-ene?
The InChIKey is BQRYUZSNPYPJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O.C3H6/c1-2-18-12-4-11-10(3-8(12)5-14)13(16)9(6-15)7-17-11;1-3-2/h3-4,7H,2H2,1H3,(H2,16,17);3H,1H2,2H3.
What are the key properties of 4-amino-7-ethoxyquinoline-3,6-dicarbonitrile;prop-1-ene?
4-amino-7-ethoxyquinoline-3,6-dicarbonitrile;prop-1-ene has a molecular weight of 280.33 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-ethoxyquinoline-3,6-dicarbonitrile;prop-1-ene is sourced from PubChem (CID 142362259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).