N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,6-dimethyl-2-(5-methyl-1,2,3,4-tetrahydroquinolin-7-yl)quinazoline-4-carboxamide

C28H32N6O — CID 165041803

IUPACN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,6-dimethyl-2-(5-methyl-1,2,3,4-tetrahydroquinolin-7-yl)quinazoline-4-carboxamide
SMILESCCn1ncc(CN(C)C(=O)c2nc(-c3cc(C)c4c(c3)NCCC4)nc3ccc(C)cc23)c1C
InChIInChI=1S/C28H32N6O/c1-6-34-19(4)21(15-30-34)16-33(5)28(35)26-23-12-17(2)9-10-24(23)31-27(32-26)20-13-18(3)22-8-7-11-29-25(22)14-20/h9-10,12-15,29H,6-8,11,16H2,1-5H3
InChIKeyOGBPCJAEIXEGAA-UHFFFAOYSA-N
MW468.61 g/mol
LogP5.07
Rot. Bonds5

About N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,6-dimethyl-2-(5-methyl-1,2,3,4-tetrahydroquinolin-7-yl)quinazoline-4-carboxamide

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,6-dimethyl-2-(5-methyl-1,2,3,4-tetrahydroquinolin-7-yl)quinazoline-4-carboxamide (PubChem CID 165041803) has the molecular formula C28H32N6O and a molecular weight of 468.61 g/mol. Its IUPAC name is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,6-dimethyl-2-(5-methyl-1,2,3,4-tetrahydroquinolin-7-yl)quinazoline-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,6-dimethyl-2-(5-methyl-1,2,3,4-tetrahydroquinolin-7-yl)quinazoline-4-carboxamide
PubChem CID165041803
Molecular FormulaC28H32N6O
Molecular Weight468.61 g/mol
Exact Mass468.26
IUPAC NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,6-dimethyl-2-(5-methyl-1,2,3,4-tetrahydroquinolin-7-yl)quinazoline-4-carboxamide
SMILESCCn1ncc(CN(C)C(=O)c2nc(-c3cc(C)c4c(c3)NCCC4)nc3ccc(C)cc23)c1C
InChIInChI=1S/C28H32N6O/c1-6-34-19(4)21(15-30-34)16-33(5)28(35)26-23-12-17(2)9-10-24(23)31-27(32-26)20-13-18(3)22-8-7-11-29-25(22)14-20/h9-10,12-15,29H,6-8,11,16H2,1-5H3
InChIKeyOGBPCJAEIXEGAA-UHFFFAOYSA-N
XLogP5.07
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.61
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,6-dimethyl-2-(5-methyl-1,2,3,4-tetrahydroquinolin-7-yl)quinazoline-4-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-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,6-dimethyl-2-[3-methyl-4-(oxan-4-ylamino)phenyl]quinazoline-4-carboxamide
CID 164766908
6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-[3-methyl-5-(methylaminomethyl)phenyl]quinazoline-4-carboxamide
CID 164767123
6-chloro-2-(3-cyanophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinazoline-4-carboxamide
CID 164767357
6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-[3-methyl-5-[2-(methylamino)ethylamino]phenyl]quinazoline-4-carboxamide
CID 164767331
6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(1-pyrrolidin-3-ylpyrazol-4-yl)quinazoline-4-carboxamide
CID 164767007
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-2-[5-(hydroxymethyl)-2-methylphenyl]-N-methylquinazoline-4-carboxamide
CID 167060184
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-2-[3-methoxy-4-(piperazin-1-ylmethyl)phenyl]-N-methylquinazoline-4-carboxamide
CID 167060206
6-chloro-2-(2,3-dichlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinazoline-4-carboxamide
CID 164767163
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-(3-methylimidazol-4-yl)quinazoline-4-carboxamide
CID 167060468
6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(3-methoxy-2-pyridinyl)-N-methylquinazoline-4-carboxamide
CID 164767415
tert-butyl N-[3-[4-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylcarbamoyl]-6-hydroxyquinazolin-2-yl]-2-methylphenoxy]propyl]-N-methylcarbamate
CID 167060495
2-(3-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,6-dimethylquinoline-4-carboxamide
CID 164766955

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,6-dimethyl-2-(5-methyl-1,2,3,4-tetrahydroquinolin-7-yl)quinazoline-4-carboxamide?
The IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,6-dimethyl-2-(5-methyl-1,2,3,4-tetrahydroquinolin-7-yl)quinazoline-4-carboxamide (CID 165041803) is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,6-dimethyl-2-(5-methyl-1,2,3,4-tetrahydroquinolin-7-yl)quinazoline-4-carboxamide.
What is the SMILES notation for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,6-dimethyl-2-(5-methyl-1,2,3,4-tetrahydroquinolin-7-yl)quinazoline-4-carboxamide?
The canonical SMILES for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,6-dimethyl-2-(5-methyl-1,2,3,4-tetrahydroquinolin-7-yl)quinazoline-4-carboxamide is CCn1ncc(CN(C)C(=O)c2nc(-c3cc(C)c4c(c3)NCCC4)nc3ccc(C)cc23)c1C.
What is the InChIKey of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,6-dimethyl-2-(5-methyl-1,2,3,4-tetrahydroquinolin-7-yl)quinazoline-4-carboxamide?
The InChIKey is OGBPCJAEIXEGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O/c1-6-34-19(4)21(15-30-34)16-33(5)28(35)26-23-12-17(2)9-10-24(23)31-27(32-26)20-13-18(3)22-8-7-11-29-25(22)14-20/h9-10,12-15,29H,6-8,11,16H2,1-5H3.
What are the key properties of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,6-dimethyl-2-(5-methyl-1,2,3,4-tetrahydroquinolin-7-yl)quinazoline-4-carboxamide?
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,6-dimethyl-2-(5-methyl-1,2,3,4-tetrahydroquinolin-7-yl)quinazoline-4-carboxamide has a molecular weight of 468.61 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,6-dimethyl-2-(5-methyl-1,2,3,4-tetrahydroquinolin-7-yl)quinazoline-4-carboxamide is sourced from PubChem (CID 165041803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).