N-cyclopentyl-3-[3-(dimethylamino)propylamino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-quinoline-5-sulfonamide

C24H33N5O4S — CID 118093992

IUPACN-cyclopentyl-3-[3-(dimethylamino)propylamino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-quinoline-5-sulfonamide
SMILESCc1noc(C)c1-c1cc(S(=O)(=O)NC2CCCC2)c2cc(NCCCN(C)C)c(=O)[nH]c2c1
InChIInChI=1S/C24H33N5O4S/c1-15-23(16(2)33-27-15)17-12-20-19(14-21(24(30)26-20)25-10-7-11-29(3)4)22(13-17)34(31,32)28-18-8-5-6-9-18/h12-14,18,25,28H,5-11H2,1-4H3,(H,26,30)
InChIKeyVNUZHMANYGIOJW-UHFFFAOYSA-N
MW487.63 g/mol
LogP3.38
Rot. Bonds9

About N-cyclopentyl-3-[3-(dimethylamino)propylamino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-quinoline-5-sulfonamide

N-cyclopentyl-3-[3-(dimethylamino)propylamino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-quinoline-5-sulfonamide (PubChem CID 118093992) has the molecular formula C24H33N5O4S and a molecular weight of 487.63 g/mol. Its IUPAC name is N-cyclopentyl-3-[3-(dimethylamino)propylamino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-quinoline-5-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[3-(dimethylamino)propylamino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-quinoline-5-sulfonamide
PubChem CID118093992
Molecular FormulaC24H33N5O4S
Molecular Weight487.63 g/mol
Exact Mass487.23
IUPAC NameN-cyclopentyl-3-[3-(dimethylamino)propylamino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-quinoline-5-sulfonamide
SMILESCc1noc(C)c1-c1cc(S(=O)(=O)NC2CCCC2)c2cc(NCCCN(C)C)c(=O)[nH]c2c1
InChIInChI=1S/C24H33N5O4S/c1-15-23(16(2)33-27-15)17-12-20-19(14-21(24(30)26-20)25-10-7-11-29(3)4)22(13-17)34(31,32)28-18-8-5-6-9-18/h12-14,18,25,28H,5-11H2,1-4H3,(H,26,30)
InChIKeyVNUZHMANYGIOJW-UHFFFAOYSA-N
XLogP3.38
TPSA120.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.63
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[3-(dimethylamino)propylamino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-quinoline-5-sulfonamide?
The IUPAC name of N-cyclopentyl-3-[3-(dimethylamino)propylamino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-quinoline-5-sulfonamide (CID 118093992) is N-cyclopentyl-3-[3-(dimethylamino)propylamino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-quinoline-5-sulfonamide.
What is the SMILES notation for N-cyclopentyl-3-[3-(dimethylamino)propylamino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-quinoline-5-sulfonamide?
The canonical SMILES for N-cyclopentyl-3-[3-(dimethylamino)propylamino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-quinoline-5-sulfonamide is Cc1noc(C)c1-c1cc(S(=O)(=O)NC2CCCC2)c2cc(NCCCN(C)C)c(=O)[nH]c2c1.
What is the InChIKey of N-cyclopentyl-3-[3-(dimethylamino)propylamino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-quinoline-5-sulfonamide?
The InChIKey is VNUZHMANYGIOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O4S/c1-15-23(16(2)33-27-15)17-12-20-19(14-21(24(30)26-20)25-10-7-11-29(3)4)22(13-17)34(31,32)28-18-8-5-6-9-18/h12-14,18,25,28H,5-11H2,1-4H3,(H,26,30).
What are the key properties of N-cyclopentyl-3-[3-(dimethylamino)propylamino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-quinoline-5-sulfonamide?
N-cyclopentyl-3-[3-(dimethylamino)propylamino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-quinoline-5-sulfonamide has a molecular weight of 487.63 g/mol, XLogP of 3.38, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[3-(dimethylamino)propylamino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-quinoline-5-sulfonamide is sourced from PubChem (CID 118093992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).