6-chloro-2-(3-cyanophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinazoline-4-carboxamide

C24H21ClN6O — CID 164767357

IUPAC6-chloro-2-(3-cyanophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinazoline-4-carboxamide
SMILESCCn1ncc(CN(C)C(=O)c2nc(-c3cccc(C#N)c3)nc3ccc(Cl)cc23)c1C
InChIInChI=1S/C24H21ClN6O/c1-4-31-15(2)18(13-27-31)14-30(3)24(32)22-20-11-19(25)8-9-21(20)28-23(29-22)17-7-5-6-16(10-17)12-26/h5-11,13H,4,14H2,1-3H3
InChIKeySRSAKQQSCKZAIS-UHFFFAOYSA-N
MW444.93 g/mol
LogP4.62
Rot. Bonds5

About 6-chloro-2-(3-cyanophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinazoline-4-carboxamide

6-chloro-2-(3-cyanophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinazoline-4-carboxamide (PubChem CID 164767357) has the molecular formula C24H21ClN6O and a molecular weight of 444.93 g/mol. Its IUPAC name is 6-chloro-2-(3-cyanophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinazoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-2-(3-cyanophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinazoline-4-carboxamide
PubChem CID164767357
Molecular FormulaC24H21ClN6O
Molecular Weight444.93 g/mol
Exact Mass444.15
IUPAC Name6-chloro-2-(3-cyanophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinazoline-4-carboxamide
SMILESCCn1ncc(CN(C)C(=O)c2nc(-c3cccc(C#N)c3)nc3ccc(Cl)cc23)c1C
InChIInChI=1S/C24H21ClN6O/c1-4-31-15(2)18(13-27-31)14-30(3)24(32)22-20-11-19(25)8-9-21(20)28-23(29-22)17-7-5-6-16(10-17)12-26/h5-11,13H,4,14H2,1-3H3
InChIKeySRSAKQQSCKZAIS-UHFFFAOYSA-N
XLogP4.62
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.93
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2-(2,3-dichlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinazoline-4-carboxamide
CID 164767163
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-chlorophenyl)-N-methyl-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]quinazoline-4-carboxamide
CID 164767030
6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(3-methoxy-2-pyridinyl)-N-methylquinazoline-4-carboxamide
CID 164767415
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
6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-[1-methyl-3-(methylcarbamoyl)pyrazol-5-yl]quinazoline-4-carboxamide
CID 164767077
6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-[5-[2-(methylamino)ethoxy]-2-pyridinyl]quinazoline-4-carboxamide
CID 164767059
2-(3-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,6-dimethylquinoline-4-carboxamide
CID 164766955
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
6-chloro-2-(2-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinoline-4-carboxamide
CID 164767125
6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)quinazoline-4-carboxamide
CID 164767048

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-cyanophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinazoline-4-carboxamide?
The IUPAC name of 6-chloro-2-(3-cyanophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinazoline-4-carboxamide (CID 164767357) is 6-chloro-2-(3-cyanophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinazoline-4-carboxamide.
What is the SMILES notation for 6-chloro-2-(3-cyanophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinazoline-4-carboxamide?
The canonical SMILES for 6-chloro-2-(3-cyanophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinazoline-4-carboxamide is CCn1ncc(CN(C)C(=O)c2nc(-c3cccc(C#N)c3)nc3ccc(Cl)cc23)c1C.
What is the InChIKey of 6-chloro-2-(3-cyanophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinazoline-4-carboxamide?
The InChIKey is SRSAKQQSCKZAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN6O/c1-4-31-15(2)18(13-27-31)14-30(3)24(32)22-20-11-19(25)8-9-21(20)28-23(29-22)17-7-5-6-16(10-17)12-26/h5-11,13H,4,14H2,1-3H3.
What are the key properties of 6-chloro-2-(3-cyanophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinazoline-4-carboxamide?
6-chloro-2-(3-cyanophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinazoline-4-carboxamide has a molecular weight of 444.93 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-cyanophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinazoline-4-carboxamide is sourced from PubChem (CID 164767357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).