N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide

C19H19ClN4OS — CID 45177780

IUPACN-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide
SMILESCc1nc(N2CCCC2C(=O)NCc2ccc(Cl)s2)nc2ccccc12
InChIInChI=1S/C19H19ClN4OS/c1-12-14-5-2-3-6-15(14)23-19(22-12)24-10-4-7-16(24)18(25)21-11-13-8-9-17(20)26-13/h2-3,5-6,8-9,16H,4,7,10-11H2,1H3,(H,21,25)
InChIKeyTZWXBZLZVRNVCW-UHFFFAOYSA-N
MW386.91 g/mol
LogP3.94
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide

N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide (PubChem CID 45177780) has the molecular formula C19H19ClN4OS and a molecular weight of 386.91 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide
PubChem CID45177780
Molecular FormulaC19H19ClN4OS
Molecular Weight386.91 g/mol
Exact Mass386.10
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide
SMILESCc1nc(N2CCCC2C(=O)NCc2ccc(Cl)s2)nc2ccccc12
InChIInChI=1S/C19H19ClN4OS/c1-12-14-5-2-3-6-15(14)23-19(22-12)24-10-4-7-16(24)18(25)21-11-13-8-9-17(20)26-13/h2-3,5-6,8-9,16H,4,7,10-11H2,1H3,(H,21,25)
InChIKeyTZWXBZLZVRNVCW-UHFFFAOYSA-N
XLogP3.94
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.91
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methyl-7-methylsulfonylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 45210781
N,N-dimethyl-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide
CID 45209149
1-(4-methylquinazolin-2-yl)-N-(spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-ylmethyl)pyrrolidine-2-carboxamide
CID 45212282
dimethyl (2S)-2-[[(2R)-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carbonyl]amino]pentanedioate
CID 42274019
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
CID 118754407
1-(2-chloroquinazolin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 62477865
1-(6-fluoro-4-methylquinazolin-2-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 45198629
2-azabicyclo[2.2.1]heptan-2-yl-[1-(4-methylquinazolin-2-yl)pyrrolidin-2-yl]methanone
CID 45217025
(2S)-N-benzyl-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 90115301
(2S)-2-N-[(5-methylthiophen-2-yl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 95336171
[4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-[(2R)-1-(4-methylquinazolin-2-yl)pyrrolidin-2-yl]methanone
CID 51901047
1-[4-(benzylamino)quinazolin-2-yl]pyrrolidine-2-carboxylic acid
CID 68723847

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide (CID 45177780) is N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide is Cc1nc(N2CCCC2C(=O)NCc2ccc(Cl)s2)nc2ccccc12.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is TZWXBZLZVRNVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4OS/c1-12-14-5-2-3-6-15(14)23-19(22-12)24-10-4-7-16(24)18(25)21-11-13-8-9-17(20)26-13/h2-3,5-6,8-9,16H,4,7,10-11H2,1H3,(H,21,25).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 386.91 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 45177780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).