4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-yl-1H-pyrrole-2-carboxamide

C18H18N4O3S — CID 9451230

IUPAC4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-yl-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1cc(S(=O)(=O)N2CCCC2)c[nH]1
InChIInChI=1S/C18H18N4O3S/c23-18(21-15-7-3-5-13-6-4-8-19-17(13)15)16-11-14(12-20-16)26(24,25)22-9-1-2-10-22/h3-8,11-12,20H,1-2,9-10H2,(H,21,23)
InChIKeyBWSGVMVUIDHHFJ-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.60
Rot. Bonds4

About 4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-yl-1H-pyrrole-2-carboxamide

4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-yl-1H-pyrrole-2-carboxamide (PubChem CID 9451230) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-yl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-yl-1H-pyrrole-2-carboxamide
PubChem CID9451230
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-yl-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1cc(S(=O)(=O)N2CCCC2)c[nH]1
InChIInChI=1S/C18H18N4O3S/c23-18(21-15-7-3-5-13-6-4-8-19-17(13)15)16-11-14(12-20-16)26(24,25)22-9-1-2-10-22/h3-8,11-12,20H,1-2,9-10H2,(H,21,23)
InChIKeyBWSGVMVUIDHHFJ-UHFFFAOYSA-N
XLogP2.60
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzamide
CID 26123612
4-amino-N-quinolin-8-yl-1H-pyrrole-2-carboxamide
CID 43642698
4-morpholin-4-ylsulfonyl-N-quinolin-8-ylbenzamide
CID 26123616
N-naphthalen-1-yl-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 60591178
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate
CID 18279258
4-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109218708
1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
CID 3192941
methanol;4-pyrrolidin-1-yl-N-quinolin-8-ylpyridine-2-carboxamide
CID 177001630
N-(benzimidazol-1-yl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18126205
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-quinolin-8-ylbenzamide
CID 42906884
1-(3-acetylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
CID 26123306
6-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
CID 84573850

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-yl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-yl-1H-pyrrole-2-carboxamide (CID 9451230) is 4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-yl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-yl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-yl-1H-pyrrole-2-carboxamide is O=C(Nc1cccc2cccnc12)c1cc(S(=O)(=O)N2CCCC2)c[nH]1.
What is the InChIKey of 4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-yl-1H-pyrrole-2-carboxamide?
The InChIKey is BWSGVMVUIDHHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c23-18(21-15-7-3-5-13-6-4-8-19-17(13)15)16-11-14(12-20-16)26(24,25)22-9-1-2-10-22/h3-8,11-12,20H,1-2,9-10H2,(H,21,23).
What are the key properties of 4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-yl-1H-pyrrole-2-carboxamide?
4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-yl-1H-pyrrole-2-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-yl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 9451230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).