N-[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]-1,2,3,4-tetrahydro-1,2,4-triazine-6-carboxamide

C21H22N6O3 — CID 140884388

IUPACN-[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]-1,2,3,4-tetrahydro-1,2,4-triazine-6-carboxamide
SMILESCOc1cc2nccc(Nc3ccc(NC(=O)C4=CNCNN4)cc3)c2cc1OC
InChIInChI=1S/C21H22N6O3/c1-29-19-9-15-16(7-8-23-17(15)10-20(19)30-2)25-13-3-5-14(6-4-13)26-21(28)18-11-22-12-24-27-18/h3-11,22,24,27H,12H2,1-2H3,(H,23,25)(H,26,28)
InChIKeyPZTOTZCLGRVPTN-UHFFFAOYSA-N
MW406.45 g/mol
LogP2.43
Rot. Bonds6

About N-[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]-1,2,3,4-tetrahydro-1,2,4-triazine-6-carboxamide

N-[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]-1,2,3,4-tetrahydro-1,2,4-triazine-6-carboxamide (PubChem CID 140884388) has the molecular formula C21H22N6O3 and a molecular weight of 406.45 g/mol. Its IUPAC name is N-[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]-1,2,3,4-tetrahydro-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound NameN-[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]-1,2,3,4-tetrahydro-1,2,4-triazine-6-carboxamide
PubChem CID140884388
Molecular FormulaC21H22N6O3
Molecular Weight406.45 g/mol
Exact Mass406.18
IUPAC NameN-[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]-1,2,3,4-tetrahydro-1,2,4-triazine-6-carboxamide
SMILESCOc1cc2nccc(Nc3ccc(NC(=O)C4=CNCNN4)cc3)c2cc1OC
InChIInChI=1S/C21H22N6O3/c1-29-19-9-15-16(7-8-23-17(15)10-20(19)30-2)25-13-3-5-14(6-4-13)26-21(28)18-11-22-12-24-27-18/h3-11,22,24,27H,12H2,1-2H3,(H,23,25)(H,26,28)
InChIKeyPZTOTZCLGRVPTN-UHFFFAOYSA-N
XLogP2.43
TPSA108.57 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 52.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze N-[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]-1,2,3,4-tetrahydro-1,2,4-triazine-6-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-[[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenoxy]methyl]phenyl]acetamide
CID 44532199
N-[5-[(6,7-dimethoxyquinolin-4-yl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide
CID 22732263
N'-[6-[(6,7-dimethoxyquinolin-4-yl)amino]-3-pyridinyl]-N-(4-fluorophenyl)propanediamide
CID 118612193
methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate
CID 22132633
1-[2-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]ethanone
CID 53264744
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridine-3-carboxamide
CID 22132777
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea
CID 23084603
6,7-dimethoxy-N-(3-methoxyphenyl)quinolin-4-amine
CID 53264717
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]cyclopropanecarboxamide
CID 141414883
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 141362342
2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-phenylpyridine-3-carboxamide
CID 24966402

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]-1,2,3,4-tetrahydro-1,2,4-triazine-6-carboxamide?
The IUPAC name of N-[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]-1,2,3,4-tetrahydro-1,2,4-triazine-6-carboxamide (CID 140884388) is N-[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]-1,2,3,4-tetrahydro-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for N-[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]-1,2,3,4-tetrahydro-1,2,4-triazine-6-carboxamide?
The canonical SMILES for N-[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]-1,2,3,4-tetrahydro-1,2,4-triazine-6-carboxamide is COc1cc2nccc(Nc3ccc(NC(=O)C4=CNCNN4)cc3)c2cc1OC.
What is the InChIKey of N-[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]-1,2,3,4-tetrahydro-1,2,4-triazine-6-carboxamide?
The InChIKey is PZTOTZCLGRVPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3/c1-29-19-9-15-16(7-8-23-17(15)10-20(19)30-2)25-13-3-5-14(6-4-13)26-21(28)18-11-22-12-24-27-18/h3-11,22,24,27H,12H2,1-2H3,(H,23,25)(H,26,28).
What are the key properties of N-[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]-1,2,3,4-tetrahydro-1,2,4-triazine-6-carboxamide?
N-[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]-1,2,3,4-tetrahydro-1,2,4-triazine-6-carboxamide has a molecular weight of 406.45 g/mol, XLogP of 2.43, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]-1,2,3,4-tetrahydro-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 140884388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).