4-[[1-[3-[(2-chloropyridine-4-carbonyl)amino]phenyl]-2-(dimethylamino)ethyl]amino]quinazoline-8-carboxamide

C25H24ClN7O2 — CID 46869518

IUPAC4-[[1-[3-[(2-chloropyridine-4-carbonyl)amino]phenyl]-2-(dimethylamino)ethyl]amino]quinazoline-8-carboxamide
SMILESCN(C)CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccnc(Cl)c2)c1
InChIInChI=1S/C25H24ClN7O2/c1-33(2)13-20(32-24-19-8-4-7-18(23(27)34)22(19)29-14-30-24)15-5-3-6-17(11-15)31-25(35)16-9-10-28-21(26)12-16/h3-12,14,20H,13H2,1-2H3,(H2,27,34)(H,31,35)(H,29,30,32)
InChIKeyNERGHRXOVVUXNP-UHFFFAOYSA-N
MW489.97 g/mol
LogP3.74
Rot. Bonds8

About 4-[[1-[3-[(2-chloropyridine-4-carbonyl)amino]phenyl]-2-(dimethylamino)ethyl]amino]quinazoline-8-carboxamide

4-[[1-[3-[(2-chloropyridine-4-carbonyl)amino]phenyl]-2-(dimethylamino)ethyl]amino]quinazoline-8-carboxamide (PubChem CID 46869518) has the molecular formula C25H24ClN7O2 and a molecular weight of 489.97 g/mol. Its IUPAC name is 4-[[1-[3-[(2-chloropyridine-4-carbonyl)amino]phenyl]-2-(dimethylamino)ethyl]amino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[1-[3-[(2-chloropyridine-4-carbonyl)amino]phenyl]-2-(dimethylamino)ethyl]amino]quinazoline-8-carboxamide
PubChem CID46869518
Molecular FormulaC25H24ClN7O2
Molecular Weight489.97 g/mol
Exact Mass489.17
IUPAC Name4-[[1-[3-[(2-chloropyridine-4-carbonyl)amino]phenyl]-2-(dimethylamino)ethyl]amino]quinazoline-8-carboxamide
SMILESCN(C)CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccnc(Cl)c2)c1
InChIInChI=1S/C25H24ClN7O2/c1-33(2)13-20(32-24-19-8-4-7-18(23(27)34)22(19)29-14-30-24)15-5-3-6-17(11-15)31-25(35)16-9-10-28-21(26)12-16/h3-12,14,20H,13H2,1-2H3,(H2,27,34)(H,31,35)(H,29,30,32)
InChIKeyNERGHRXOVVUXNP-UHFFFAOYSA-N
XLogP3.74
TPSA126.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.97
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[[1-[3-[(2-chloropyridine-4-carbonyl)amino]phenyl]-2-(dimethylamino)ethyl]amino]quinazoline-8-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

Thz531
CID 118025540
M-2698
CID 89808643
Sgi-1027
CID 24858111
N-{3-[3-(Dimethylamino)propyl]-5-(Trifluoromethyl)phenyl}-4-Methyl-3-[(3-Pyrimidin-4-Ylpyridin-2-Yl)amino]benzamide
CID 11497471
4-{[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino}quinazoline-8-carboxamide
CID 66763327
VX-984
CID 72188357
[3-(2-{5-Chloro-2-ethyl-9-methyl-10-oxo-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-13-yl}ethyl)phenyl]urea
CID 470748
13-[2-(3-Aminophenyl)ethyl]-5-chloro-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470757
4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-6-[(1H-imidazol-4-ylmethyl)amino]-N,N-dimethylquinoline-8-carboxamide
CID 17759675
N-{4-[(2-carbamimidamidocyclohexyl)amino]-6-methylquinazolin-2-yl}-4-chlorobenzamide
CID 17864714
N-(4-{[(1S,2R)-2-carbamimidamidocyclohexyl]amino}-6-methylquinazolin-2-yl)-4-chlorobenzamide
CID 25190636
N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide
CID 11518307

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[3-[(2-chloropyridine-4-carbonyl)amino]phenyl]-2-(dimethylamino)ethyl]amino]quinazoline-8-carboxamide?
The IUPAC name of 4-[[1-[3-[(2-chloropyridine-4-carbonyl)amino]phenyl]-2-(dimethylamino)ethyl]amino]quinazoline-8-carboxamide (CID 46869518) is 4-[[1-[3-[(2-chloropyridine-4-carbonyl)amino]phenyl]-2-(dimethylamino)ethyl]amino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[[1-[3-[(2-chloropyridine-4-carbonyl)amino]phenyl]-2-(dimethylamino)ethyl]amino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[[1-[3-[(2-chloropyridine-4-carbonyl)amino]phenyl]-2-(dimethylamino)ethyl]amino]quinazoline-8-carboxamide is CN(C)CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccnc(Cl)c2)c1.
What is the InChIKey of 4-[[1-[3-[(2-chloropyridine-4-carbonyl)amino]phenyl]-2-(dimethylamino)ethyl]amino]quinazoline-8-carboxamide?
The InChIKey is NERGHRXOVVUXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN7O2/c1-33(2)13-20(32-24-19-8-4-7-18(23(27)34)22(19)29-14-30-24)15-5-3-6-17(11-15)31-25(35)16-9-10-28-21(26)12-16/h3-12,14,20H,13H2,1-2H3,(H2,27,34)(H,31,35)(H,29,30,32).
What are the key properties of 4-[[1-[3-[(2-chloropyridine-4-carbonyl)amino]phenyl]-2-(dimethylamino)ethyl]amino]quinazoline-8-carboxamide?
4-[[1-[3-[(2-chloropyridine-4-carbonyl)amino]phenyl]-2-(dimethylamino)ethyl]amino]quinazoline-8-carboxamide has a molecular weight of 489.97 g/mol, XLogP of 3.74, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[3-[(2-chloropyridine-4-carbonyl)amino]phenyl]-2-(dimethylamino)ethyl]amino]quinazoline-8-carboxamide is sourced from PubChem (CID 46869518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).