4-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)quinazoline-6-carboxamide

C18H18N4OS — CID 71842451

IUPAC4-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)quinazoline-6-carboxamide
SMILESO=C(NCc1cccs1)c1ccc2ncnc(N3CCCC3)c2c1
InChIInChI=1S/C18H18N4OS/c23-18(19-11-14-4-3-9-24-14)13-5-6-16-15(10-13)17(21-12-20-16)22-7-1-2-8-22/h3-6,9-10,12H,1-2,7-8,11H2,(H,19,23)
InChIKeyUSIXIKNOIPHCEB-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.22
Rot. Bonds4

About 4-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)quinazoline-6-carboxamide

4-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)quinazoline-6-carboxamide (PubChem CID 71842451) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 4-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)quinazoline-6-carboxamide.

Molecular Properties

Compound Name4-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)quinazoline-6-carboxamide
PubChem CID71842451
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name4-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)quinazoline-6-carboxamide
SMILESO=C(NCc1cccs1)c1ccc2ncnc(N3CCCC3)c2c1
InChIInChI=1S/C18H18N4OS/c23-18(19-11-14-4-3-9-24-14)13-5-6-16-15(10-13)17(21-12-20-16)22-7-1-2-8-22/h3-6,9-10,12H,1-2,7-8,11H2,(H,19,23)
InChIKeyUSIXIKNOIPHCEB-UHFFFAOYSA-N
XLogP3.22
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-piperidin-1-yl-N-(pyridin-2-ylmethyl)quinazoline-6-carboxamide
CID 71842437
N-[[4-(dimethylamino)phenyl]methyl]-4-piperidin-1-ylquinazoline-6-carboxamide
CID 71830338
N-[(2-ethoxyphenyl)methyl]-4-piperidin-1-ylquinazoline-6-carboxamide
CID 71842381
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-pyrrolidin-1-ylquinazoline-6-carboxamide
CID 71842457
N-butan-2-yl-4-pyrrolidin-1-ylquinazoline-6-carboxamide
CID 71842520
piperidin-1-yl-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone
CID 71842473
6-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide
CID 7130488
N-(3-methylbutyl)-4-morpholin-4-ylquinazoline-6-carboxamide
CID 71842358
N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 134791397
N-[2-(cyclohexen-1-yl)ethyl]-4-morpholin-4-ylquinazoline-6-carboxamide
CID 71842370
3,4-diamino-N-(thiophen-2-ylmethyl)benzamide
CID 67362450
2,3-diethyl-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide
CID 22588071

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)quinazoline-6-carboxamide?
The IUPAC name of 4-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)quinazoline-6-carboxamide (CID 71842451) is 4-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)quinazoline-6-carboxamide.
What is the SMILES notation for 4-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)quinazoline-6-carboxamide?
The canonical SMILES for 4-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)quinazoline-6-carboxamide is O=C(NCc1cccs1)c1ccc2ncnc(N3CCCC3)c2c1.
What is the InChIKey of 4-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)quinazoline-6-carboxamide?
The InChIKey is USIXIKNOIPHCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c23-18(19-11-14-4-3-9-24-14)13-5-6-16-15(10-13)17(21-12-20-16)22-7-1-2-8-22/h3-6,9-10,12H,1-2,7-8,11H2,(H,19,23).
What are the key properties of 4-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)quinazoline-6-carboxamide?
4-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)quinazoline-6-carboxamide has a molecular weight of 338.44 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)quinazoline-6-carboxamide is sourced from PubChem (CID 71842451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).