2-amino-1-morpholin-4-yl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile

C23H28N4O5 — CID 4070417

IUPAC2-amino-1-morpholin-4-yl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCOc1cc(C2C(C#N)=C(N)N(N3CCOCC3)C3=C2C(=O)CCC3)cc(OC)c1OC
InChIInChI=1S/C23H28N4O5/c1-29-18-11-14(12-19(30-2)22(18)31-3)20-15(13-24)23(25)27(26-7-9-32-10-8-26)16-5-4-6-17(28)21(16)20/h11-12,20H,4-10,25H2,1-3H3
InChIKeyLSUOSJKDWHHFJY-UHFFFAOYSA-N
MW440.50 g/mol
LogP2.06
Rot. Bonds5

About 2-amino-1-morpholin-4-yl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile

2-amino-1-morpholin-4-yl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 4070417) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is 2-amino-1-morpholin-4-yl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1-morpholin-4-yl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID4070417
Molecular FormulaC23H28N4O5
Molecular Weight440.50 g/mol
Exact Mass440.21
IUPAC Name2-amino-1-morpholin-4-yl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCOc1cc(C2C(C#N)=C(N)N(N3CCOCC3)C3=C2C(=O)CCC3)cc(OC)c1OC
InChIInChI=1S/C23H28N4O5/c1-29-18-11-14(12-19(30-2)22(18)31-3)20-15(13-24)23(25)27(26-7-9-32-10-8-26)16-5-4-6-17(28)21(16)20/h11-12,20H,4-10,25H2,1-3H3
InChIKeyLSUOSJKDWHHFJY-UHFFFAOYSA-N
XLogP2.06
TPSA110.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-morpholin-4-yl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-amino-1-morpholin-4-yl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 4070417) is 2-amino-1-morpholin-4-yl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-1-morpholin-4-yl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-1-morpholin-4-yl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile is COc1cc(C2C(C#N)=C(N)N(N3CCOCC3)C3=C2C(=O)CCC3)cc(OC)c1OC.
What is the InChIKey of 2-amino-1-morpholin-4-yl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is LSUOSJKDWHHFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5/c1-29-18-11-14(12-19(30-2)22(18)31-3)20-15(13-24)23(25)27(26-7-9-32-10-8-26)16-5-4-6-17(28)21(16)20/h11-12,20H,4-10,25H2,1-3H3.
What are the key properties of 2-amino-1-morpholin-4-yl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-amino-1-morpholin-4-yl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 440.50 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-morpholin-4-yl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 4070417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).