2-amino-1-(4-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile

C26H28N4O3S — CID 5296125

IUPAC2-amino-1-(4-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCOc1ccc(N2C(N)=C(C#N)C(c3cc(CN4CCOCC4)cs3)C3=C2CCCC3=O)cc1
InChIInChI=1S/C26H28N4O3S/c1-32-19-7-5-18(6-8-19)30-21-3-2-4-22(31)25(21)24(20(14-27)26(30)28)23-13-17(16-34-23)15-29-9-11-33-12-10-29/h5-8,13,16,24H,2-4,9-12,15,28H2,1H3
InChIKeyBOYFRFKACMMVRU-UHFFFAOYSA-N
MW476.60 g/mol
LogP3.89
Rot. Bonds5

About 2-amino-1-(4-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile

2-amino-1-(4-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 5296125) has the molecular formula C26H28N4O3S and a molecular weight of 476.60 g/mol. Its IUPAC name is 2-amino-1-(4-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(4-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID5296125
Molecular FormulaC26H28N4O3S
Molecular Weight476.60 g/mol
Exact Mass476.19
IUPAC Name2-amino-1-(4-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCOc1ccc(N2C(N)=C(C#N)C(c3cc(CN4CCOCC4)cs3)C3=C2CCCC3=O)cc1
InChIInChI=1S/C26H28N4O3S/c1-32-19-7-5-18(6-8-19)30-21-3-2-4-22(31)25(21)24(20(14-27)26(30)28)23-13-17(16-34-23)15-29-9-11-33-12-10-29/h5-8,13,16,24H,2-4,9-12,15,28H2,1H3
InChIKeyBOYFRFKACMMVRU-UHFFFAOYSA-N
XLogP3.89
TPSA91.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-amino-1-(4-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-amino-1-(4-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 5296125) is 2-amino-1-(4-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-1-(4-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-1-(4-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile is COc1ccc(N2C(N)=C(C#N)C(c3cc(CN4CCOCC4)cs3)C3=C2CCCC3=O)cc1.
What is the InChIKey of 2-amino-1-(4-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is BOYFRFKACMMVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3S/c1-32-19-7-5-18(6-8-19)30-21-3-2-4-22(31)25(21)24(20(14-27)26(30)28)23-13-17(16-34-23)15-29-9-11-33-12-10-29/h5-8,13,16,24H,2-4,9-12,15,28H2,1H3.
What are the key properties of 2-amino-1-(4-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-amino-1-(4-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 476.60 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 5296125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).