6-chloro-2-(3-chlorophenyl)-N-methyl-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]quinazoline-4-carboxamide

C24H23Cl2N5O — CID 164767030

IUPAC6-chloro-2-(3-chlorophenyl)-N-methyl-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]quinazoline-4-carboxamide
SMILESCc1c(CN(C)C(=O)c2nc(-c3cccc(Cl)c3)nc3ccc(Cl)cc23)cnn1C(C)C
InChIInChI=1S/C24H23Cl2N5O/c1-14(2)31-15(3)17(12-27-31)13-30(4)24(32)22-20-11-19(26)8-9-21(20)28-23(29-22)16-6-5-7-18(25)10-16/h5-12,14H,13H2,1-4H3
InChIKeyDPDLHAWQQSNCKP-UHFFFAOYSA-N
MW468.39 g/mol
LogP5.96
Rot. Bonds5

About 6-chloro-2-(3-chlorophenyl)-N-methyl-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]quinazoline-4-carboxamide

6-chloro-2-(3-chlorophenyl)-N-methyl-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]quinazoline-4-carboxamide (PubChem CID 164767030) has the molecular formula C24H23Cl2N5O and a molecular weight of 468.39 g/mol. Its IUPAC name is 6-chloro-2-(3-chlorophenyl)-N-methyl-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]quinazoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-2-(3-chlorophenyl)-N-methyl-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]quinazoline-4-carboxamide
PubChem CID164767030
Molecular FormulaC24H23Cl2N5O
Molecular Weight468.39 g/mol
Exact Mass467.13
IUPAC Name6-chloro-2-(3-chlorophenyl)-N-methyl-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]quinazoline-4-carboxamide
SMILESCc1c(CN(C)C(=O)c2nc(-c3cccc(Cl)c3)nc3ccc(Cl)cc23)cnn1C(C)C
InChIInChI=1S/C24H23Cl2N5O/c1-14(2)31-15(3)17(12-27-31)13-30(4)24(32)22-20-11-19(26)8-9-21(20)28-23(29-22)16-6-5-7-18(25)10-16/h5-12,14H,13H2,1-4H3
InChIKeyDPDLHAWQQSNCKP-UHFFFAOYSA-N
XLogP5.96
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.39
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-(3-cyanophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinazoline-4-carboxamide
CID 164767357
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-hydroxy-2-(3-hydroxyphenyl)-N-methyl-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 167060216
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-[5-[2-(methylamino)ethoxy]-2-pyridinyl]quinazoline-4-carboxamide
CID 164767059
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
2-(3-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,6-dimethylquinoline-4-carboxamide
CID 164766955
2-(3-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methylquinoline-4-carboxamide
CID 167060231
6-chloro-2-(2-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinoline-4-carboxamide
CID 164767125

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-chlorophenyl)-N-methyl-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]quinazoline-4-carboxamide?
The IUPAC name of 6-chloro-2-(3-chlorophenyl)-N-methyl-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]quinazoline-4-carboxamide (CID 164767030) is 6-chloro-2-(3-chlorophenyl)-N-methyl-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]quinazoline-4-carboxamide.
What is the SMILES notation for 6-chloro-2-(3-chlorophenyl)-N-methyl-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]quinazoline-4-carboxamide?
The canonical SMILES for 6-chloro-2-(3-chlorophenyl)-N-methyl-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]quinazoline-4-carboxamide is Cc1c(CN(C)C(=O)c2nc(-c3cccc(Cl)c3)nc3ccc(Cl)cc23)cnn1C(C)C.
What is the InChIKey of 6-chloro-2-(3-chlorophenyl)-N-methyl-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]quinazoline-4-carboxamide?
The InChIKey is DPDLHAWQQSNCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N5O/c1-14(2)31-15(3)17(12-27-31)13-30(4)24(32)22-20-11-19(26)8-9-21(20)28-23(29-22)16-6-5-7-18(25)10-16/h5-12,14H,13H2,1-4H3.
What are the key properties of 6-chloro-2-(3-chlorophenyl)-N-methyl-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]quinazoline-4-carboxamide?
6-chloro-2-(3-chlorophenyl)-N-methyl-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]quinazoline-4-carboxamide has a molecular weight of 468.39 g/mol, XLogP of 5.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-chlorophenyl)-N-methyl-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]quinazoline-4-carboxamide is sourced from PubChem (CID 164767030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).