(2R)-1-(2-thiophen-2-ylquinazolin-4-yl)pyrrolidine-2-carboxamide

C17H16N4OS — CID 2573801

IUPAC(2R)-1-(2-thiophen-2-ylquinazolin-4-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1c1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C17H16N4OS/c18-15(22)13-7-3-9-21(13)17-11-5-1-2-6-12(11)19-16(20-17)14-8-4-10-23-14/h1-2,4-6,8,10,13H,3,7,9H2,(H2,18,22)/t13-/m1/s1
InChIKeyFBGPVHCGTGHAAI-CYBMUJFWSA-N
MW324.41 g/mol
LogP2.81
Rot. Bonds3

About (2R)-1-(2-thiophen-2-ylquinazolin-4-yl)pyrrolidine-2-carboxamide

(2R)-1-(2-thiophen-2-ylquinazolin-4-yl)pyrrolidine-2-carboxamide (PubChem CID 2573801) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is (2R)-1-(2-thiophen-2-ylquinazolin-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(2-thiophen-2-ylquinazolin-4-yl)pyrrolidine-2-carboxamide
PubChem CID2573801
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name(2R)-1-(2-thiophen-2-ylquinazolin-4-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1c1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C17H16N4OS/c18-15(22)13-7-3-9-21(13)17-11-5-1-2-6-12(11)19-16(20-17)14-8-4-10-23-14/h1-2,4-6,8,10,13H,3,7,9H2,(H2,18,22)/t13-/m1/s1
InChIKeyFBGPVHCGTGHAAI-CYBMUJFWSA-N
XLogP2.81
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(2-phenylquinazolin-4-yl)pyrrolidine-2-carboxamide
CID 40810173
1-(2-aminoquinazolin-4-yl)pyrrolidine-2-carboxamide
CID 80765389
6-methyl-1-(2-thiophen-2-ylquinazolin-4-yl)piperidine-3-carboxamide
CID 133271082
ethyl 2-[(2S)-1-(2-thiophen-2-ylquinazolin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 99795207
4-(2-thiophen-2-ylquinazolin-4-yl)morpholine-2-carboxamide
CID 49432802
4-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-2-thiophen-2-ylquinazoline
CID 133280239
[(2R)-oxolan-2-yl]-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]methanone
CID 2578088
(2R)-1-(4-phenylquinazolin-2-yl)pyrrolidine-2-carboxamide
CID 34039994
N-(2-thiophen-2-ylethyl)-1-(2-thiophen-2-ylquinazolin-4-yl)piperidine-4-carboxamide
CID 133277456
4-(3-ethoxypiperidin-1-yl)-2-thiophen-2-ylquinazoline
CID 133274262
1-(2-chloroquinazolin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 62477865
tert-butyl 2-(2-thiophen-2-ylquinazolin-4-yl)pyrazolidine-1-carboxylate
CID 71906621

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-thiophen-2-ylquinazolin-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(2-thiophen-2-ylquinazolin-4-yl)pyrrolidine-2-carboxamide (CID 2573801) is (2R)-1-(2-thiophen-2-ylquinazolin-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(2-thiophen-2-ylquinazolin-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(2-thiophen-2-ylquinazolin-4-yl)pyrrolidine-2-carboxamide is NC(=O)[C@H]1CCCN1c1nc(-c2cccs2)nc2ccccc12.
What is the InChIKey of (2R)-1-(2-thiophen-2-ylquinazolin-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is FBGPVHCGTGHAAI-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H16N4OS/c18-15(22)13-7-3-9-21(13)17-11-5-1-2-6-12(11)19-16(20-17)14-8-4-10-23-14/h1-2,4-6,8,10,13H,3,7,9H2,(H2,18,22)/t13-/m1/s1.
What are the key properties of (2R)-1-(2-thiophen-2-ylquinazolin-4-yl)pyrrolidine-2-carboxamide?
(2R)-1-(2-thiophen-2-ylquinazolin-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-thiophen-2-ylquinazolin-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 2573801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).