N-(benzimidazolo[1,2-c]quinazolin-6-yl)-4-pyrrolidin-1-ylsulfonylbenzamide

C25H21N5O3S — CID 5043489

IUPACN-(benzimidazolo[1,2-c]quinazolin-6-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1nc2ccccc2c2nc3ccccc3n12)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C25H21N5O3S/c31-24(17-11-13-18(14-12-17)34(32,33)29-15-5-6-16-29)28-25-27-20-8-2-1-7-19(20)23-26-21-9-3-4-10-22(21)30(23)25/h1-4,7-14H,5-6,15-16H2,(H,27,28,31)
InChIKeyTWQYJGKLCWEJGE-UHFFFAOYSA-N
MW471.54 g/mol
LogP4.07
Rot. Bonds4

About N-(benzimidazolo[1,2-c]quinazolin-6-yl)-4-pyrrolidin-1-ylsulfonylbenzamide

N-(benzimidazolo[1,2-c]quinazolin-6-yl)-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 5043489) has the molecular formula C25H21N5O3S and a molecular weight of 471.54 g/mol. Its IUPAC name is N-(benzimidazolo[1,2-c]quinazolin-6-yl)-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(benzimidazolo[1,2-c]quinazolin-6-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID5043489
Molecular FormulaC25H21N5O3S
Molecular Weight471.54 g/mol
Exact Mass471.14
IUPAC NameN-(benzimidazolo[1,2-c]quinazolin-6-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1nc2ccccc2c2nc3ccccc3n12)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C25H21N5O3S/c31-24(17-11-13-18(14-12-17)34(32,33)29-15-5-6-16-29)28-25-27-20-8-2-1-7-19(20)23-26-21-9-3-4-10-22(21)30(23)25/h1-4,7-14H,5-6,15-16H2,(H,27,28,31)
InChIKeyTWQYJGKLCWEJGE-UHFFFAOYSA-N
XLogP4.07
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-pyrrolidin-1-ylsulfonyl-N-[2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]phenyl]benzamide
CID 4313341
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4549252
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
N-[2-(azepan-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 22831307
N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2315784
N-(2-piperidin-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 7550938
N-(benzimidazolo[1,2-c]quinazolin-6-yl)-3-chloro-1-benzothiophene-2-carboxamide
CID 3290880
N-naphthalen-2-yl-4-piperidin-1-ylsulfonylbenzamide
CID 4081261
4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzamide
CID 26123612
N-isoquinolin-5-yl-4-piperidin-1-ylsulfonylbenzamide
CID 8763187
benzotriazol-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 5132815

Frequently Asked Questions

What is the IUPAC name of N-(benzimidazolo[1,2-c]quinazolin-6-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(benzimidazolo[1,2-c]quinazolin-6-yl)-4-pyrrolidin-1-ylsulfonylbenzamide (CID 5043489) is N-(benzimidazolo[1,2-c]quinazolin-6-yl)-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(benzimidazolo[1,2-c]quinazolin-6-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(benzimidazolo[1,2-c]quinazolin-6-yl)-4-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1nc2ccccc2c2nc3ccccc3n12)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-(benzimidazolo[1,2-c]quinazolin-6-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is TWQYJGKLCWEJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3S/c31-24(17-11-13-18(14-12-17)34(32,33)29-15-5-6-16-29)28-25-27-20-8-2-1-7-19(20)23-26-21-9-3-4-10-22(21)30(23)25/h1-4,7-14H,5-6,15-16H2,(H,27,28,31).
What are the key properties of N-(benzimidazolo[1,2-c]quinazolin-6-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
N-(benzimidazolo[1,2-c]quinazolin-6-yl)-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 471.54 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzimidazolo[1,2-c]quinazolin-6-yl)-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 5043489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).