2-amino-4-(4-ethoxyphenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile

C24H30N4O3 — CID 4650072

IUPAC2-amino-4-(4-ethoxyphenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
SMILESCCOc1ccc(C2C(C#N)=C(N)N(N3CCOCC3)C3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C24H30N4O3/c1-4-31-17-7-5-16(6-8-17)21-18(15-25)23(26)28(27-9-11-30-12-10-27)19-13-24(2,3)14-20(29)22(19)21/h5-8,21H,4,9-14,26H2,1-3H3
InChIKeyNGOGBUSMDYVELW-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.07
Rot. Bonds4

About 2-amino-4-(4-ethoxyphenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile

2-amino-4-(4-ethoxyphenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile (PubChem CID 4650072) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-amino-4-(4-ethoxyphenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-ethoxyphenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
PubChem CID4650072
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name2-amino-4-(4-ethoxyphenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
SMILESCCOc1ccc(C2C(C#N)=C(N)N(N3CCOCC3)C3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C24H30N4O3/c1-4-31-17-7-5-16(6-8-17)21-18(15-25)23(26)28(27-9-11-30-12-10-27)19-13-24(2,3)14-20(29)22(19)21/h5-8,21H,4,9-14,26H2,1-3H3
InChIKeyNGOGBUSMDYVELW-UHFFFAOYSA-N
XLogP3.07
TPSA91.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-amino-4-(4-ethoxyphenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

2-amino-4-(4-fluorophenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 3280278
2-amino-7,7-dimethyl-1-morpholin-4-yl-5-oxo-4-pyridin-4-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 23973124
2-amino-4-(3-bromophenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 5160476
2-amino-7,7-dimethyl-1-morpholin-4-yl-4-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 3780586
2-amino-7,7-dimethyl-1-morpholin-4-yl-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 4076918
2-amino-4-(2,3-dimethoxyphenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 5054807
2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-(4-prop-2-enoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 3579738
2-amino-4-(4-ethoxyphenyl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 3701682
(4S)-2-amino-4-(4-ethoxyphenyl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 51387453
2-amino-1-morpholin-4-yl-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 23804118
2-amino-4-(4-ethylphenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile;ethanol
CID 90484539
(4S)-2-amino-1-(2-methoxyethyl)-7,7-dimethyl-5-oxo-4-(4-phenylmethoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 126132488

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-ethoxyphenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-ethoxyphenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile (CID 4650072) is 2-amino-4-(4-ethoxyphenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-ethoxyphenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-ethoxyphenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile is CCOc1ccc(C2C(C#N)=C(N)N(N3CCOCC3)C3=C2C(=O)CC(C)(C)C3)cc1.
What is the InChIKey of 2-amino-4-(4-ethoxyphenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile?
The InChIKey is NGOGBUSMDYVELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-4-31-17-7-5-16(6-8-17)21-18(15-25)23(26)28(27-9-11-30-12-10-27)19-13-24(2,3)14-20(29)22(19)21/h5-8,21H,4,9-14,26H2,1-3H3.
What are the key properties of 2-amino-4-(4-ethoxyphenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile?
2-amino-4-(4-ethoxyphenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile has a molecular weight of 422.53 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-ethoxyphenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile is sourced from PubChem (CID 4650072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).