(3R)-1-[2-(5-methylthiophen-2-yl)quinazolin-4-yl]pyrrolidine-3-carboxamide

C18H18N4OS — CID 126422724

IUPAC(3R)-1-[2-(5-methylthiophen-2-yl)quinazolin-4-yl]pyrrolidine-3-carboxamide
SMILESCc1ccc(-c2nc(N3CC[C@@H](C(N)=O)C3)c3ccccc3n2)s1
InChIInChI=1S/C18H18N4OS/c1-11-6-7-15(24-11)17-20-14-5-3-2-4-13(14)18(21-17)22-9-8-12(10-22)16(19)23/h2-7,12H,8-10H2,1H3,(H2,19,23)/t12-/m1/s1
InChIKeyIMHBJGGADLHHDO-GFCCVEGCSA-N
MW338.44 g/mol
LogP2.98
Rot. Bonds3

About (3R)-1-[2-(5-methylthiophen-2-yl)quinazolin-4-yl]pyrrolidine-3-carboxamide

(3R)-1-[2-(5-methylthiophen-2-yl)quinazolin-4-yl]pyrrolidine-3-carboxamide (PubChem CID 126422724) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is (3R)-1-[2-(5-methylthiophen-2-yl)quinazolin-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(5-methylthiophen-2-yl)quinazolin-4-yl]pyrrolidine-3-carboxamide
PubChem CID126422724
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name(3R)-1-[2-(5-methylthiophen-2-yl)quinazolin-4-yl]pyrrolidine-3-carboxamide
SMILESCc1ccc(-c2nc(N3CC[C@@H](C(N)=O)C3)c3ccccc3n2)s1
InChIInChI=1S/C18H18N4OS/c1-11-6-7-15(24-11)17-20-14-5-3-2-4-13(14)18(21-17)22-9-8-12(10-22)16(19)23/h2-7,12H,8-10H2,1H3,(H2,19,23)/t12-/m1/s1
InChIKeyIMHBJGGADLHHDO-GFCCVEGCSA-N
XLogP2.98
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(2-pyridin-4-ylquinazolin-4-yl)pyrrolidine-3-carboxamide
CID 94434184
4-[2-(5-methylthiophen-2-yl)quinazolin-4-yl]-1,4-thiazinane 1-oxide
CID 126422726
1-[2-(2-fluorophenyl)quinazolin-4-yl]piperidine-4-carboxamide
CID 4523705
6-methyl-1-(2-thiophen-2-ylquinazolin-4-yl)piperidine-3-carboxamide
CID 133271082
4-(2-thiophen-2-ylquinazolin-4-yl)morpholine-2-carboxamide
CID 49432802
(3S)-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 94184844
N-(2-thiophen-2-ylethyl)-1-(2-thiophen-2-ylquinazolin-4-yl)piperidine-4-carboxamide
CID 133277456
1-[3-(5-methylthiophen-2-yl)benzoyl]piperidine-4-carboxamide
CID 91837200
2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide
CID 133355934
1-(3,6-dimethylpyrazin-2-yl)pyrrolidine-3-carboxamide
CID 133470261
1-[4-(dimethylamino)quinazolin-2-yl]piperidine-4-carboxamide;hydrochloride
CID 52995764
(2R)-1-(2-thiophen-2-ylquinazolin-4-yl)pyrrolidine-2-carboxamide
CID 2573801

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(5-methylthiophen-2-yl)quinazolin-4-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(5-methylthiophen-2-yl)quinazolin-4-yl]pyrrolidine-3-carboxamide (CID 126422724) is (3R)-1-[2-(5-methylthiophen-2-yl)quinazolin-4-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(5-methylthiophen-2-yl)quinazolin-4-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(5-methylthiophen-2-yl)quinazolin-4-yl]pyrrolidine-3-carboxamide is Cc1ccc(-c2nc(N3CC[C@@H](C(N)=O)C3)c3ccccc3n2)s1.
What is the InChIKey of (3R)-1-[2-(5-methylthiophen-2-yl)quinazolin-4-yl]pyrrolidine-3-carboxamide?
The InChIKey is IMHBJGGADLHHDO-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-11-6-7-15(24-11)17-20-14-5-3-2-4-13(14)18(21-17)22-9-8-12(10-22)16(19)23/h2-7,12H,8-10H2,1H3,(H2,19,23)/t12-/m1/s1.
What are the key properties of (3R)-1-[2-(5-methylthiophen-2-yl)quinazolin-4-yl]pyrrolidine-3-carboxamide?
(3R)-1-[2-(5-methylthiophen-2-yl)quinazolin-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 338.44 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(5-methylthiophen-2-yl)quinazolin-4-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 126422724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).