N-[5-methyl-2-[1-(2-morpholin-4-ylethyl)triazol-4-yl]phenyl]-4-oxochromene-2-carboxamide

C25H25N5O4 — CID 162646858

IUPACN-[5-methyl-2-[1-(2-morpholin-4-ylethyl)triazol-4-yl]phenyl]-4-oxochromene-2-carboxamide
SMILESCc1ccc(-c2cn(CCN3CCOCC3)nn2)c(NC(=O)c2cc(=O)c3ccccc3o2)c1
InChIInChI=1S/C25H25N5O4/c1-17-6-7-18(21-16-30(28-27-21)9-8-29-10-12-33-13-11-29)20(14-17)26-25(32)24-15-22(31)19-4-2-3-5-23(19)34-24/h2-7,14-16H,8-13H2,1H3,(H,26,32)
InChIKeyQDMNYDIHPHLOQL-UHFFFAOYSA-N
MW459.51 g/mol
LogP2.94
Rot. Bonds6

About N-[5-methyl-2-[1-(2-morpholin-4-ylethyl)triazol-4-yl]phenyl]-4-oxochromene-2-carboxamide

N-[5-methyl-2-[1-(2-morpholin-4-ylethyl)triazol-4-yl]phenyl]-4-oxochromene-2-carboxamide (PubChem CID 162646858) has the molecular formula C25H25N5O4 and a molecular weight of 459.51 g/mol. Its IUPAC name is N-[5-methyl-2-[1-(2-morpholin-4-ylethyl)triazol-4-yl]phenyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-2-[1-(2-morpholin-4-ylethyl)triazol-4-yl]phenyl]-4-oxochromene-2-carboxamide
PubChem CID162646858
Molecular FormulaC25H25N5O4
Molecular Weight459.51 g/mol
Exact Mass459.19
IUPAC NameN-[5-methyl-2-[1-(2-morpholin-4-ylethyl)triazol-4-yl]phenyl]-4-oxochromene-2-carboxamide
SMILESCc1ccc(-c2cn(CCN3CCOCC3)nn2)c(NC(=O)c2cc(=O)c3ccccc3o2)c1
InChIInChI=1S/C25H25N5O4/c1-17-6-7-18(21-16-30(28-27-21)9-8-29-10-12-33-13-11-29)20(14-17)26-25(32)24-15-22(31)19-4-2-3-5-23(19)34-24/h2-7,14-16H,8-13H2,1H3,(H,26,32)
InChIKeyQDMNYDIHPHLOQL-UHFFFAOYSA-N
XLogP2.94
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-methyl-2-[1-(2-morpholin-4-ylethyl)triazol-4-yl]phenyl]-4-oxochromene-2-carboxamide 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 N-[5-methyl-2-[1-(2-morpholin-4-ylethyl)triazol-4-yl]phenyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[5-methyl-2-[1-(2-morpholin-4-ylethyl)triazol-4-yl]phenyl]-4-oxochromene-2-carboxamide (CID 162646858) is N-[5-methyl-2-[1-(2-morpholin-4-ylethyl)triazol-4-yl]phenyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[5-methyl-2-[1-(2-morpholin-4-ylethyl)triazol-4-yl]phenyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[5-methyl-2-[1-(2-morpholin-4-ylethyl)triazol-4-yl]phenyl]-4-oxochromene-2-carboxamide is Cc1ccc(-c2cn(CCN3CCOCC3)nn2)c(NC(=O)c2cc(=O)c3ccccc3o2)c1.
What is the InChIKey of N-[5-methyl-2-[1-(2-morpholin-4-ylethyl)triazol-4-yl]phenyl]-4-oxochromene-2-carboxamide?
The InChIKey is QDMNYDIHPHLOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4/c1-17-6-7-18(21-16-30(28-27-21)9-8-29-10-12-33-13-11-29)20(14-17)26-25(32)24-15-22(31)19-4-2-3-5-23(19)34-24/h2-7,14-16H,8-13H2,1H3,(H,26,32).
What are the key properties of N-[5-methyl-2-[1-(2-morpholin-4-ylethyl)triazol-4-yl]phenyl]-4-oxochromene-2-carboxamide?
N-[5-methyl-2-[1-(2-morpholin-4-ylethyl)triazol-4-yl]phenyl]-4-oxochromene-2-carboxamide has a molecular weight of 459.51 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-[1-(2-morpholin-4-ylethyl)triazol-4-yl]phenyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 162646858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).