N-cyclopropyl-2-[(3S)-2-oxooxolan-3-yl]sulfanylquinoline-4-carboxamide

C17H16N2O3S — CID 39006286

IUPACN-cyclopropyl-2-[(3S)-2-oxooxolan-3-yl]sulfanylquinoline-4-carboxamide
SMILESO=C(NC1CC1)c1cc(S[C@H]2CCOC2=O)nc2ccccc12
InChIInChI=1S/C17H16N2O3S/c20-16(18-10-5-6-10)12-9-15(23-14-7-8-22-17(14)21)19-13-4-2-1-3-11(12)13/h1-4,9-10,14H,5-8H2,(H,18,20)/t14-/m0/s1
InChIKeyLOTQDSAFZYZCDA-AWEZNQCLSA-N
MW328.39 g/mol
LogP2.53
Rot. Bonds4

About N-cyclopropyl-2-[(3S)-2-oxooxolan-3-yl]sulfanylquinoline-4-carboxamide

N-cyclopropyl-2-[(3S)-2-oxooxolan-3-yl]sulfanylquinoline-4-carboxamide (PubChem CID 39006286) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-cyclopropyl-2-[(3S)-2-oxooxolan-3-yl]sulfanylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(3S)-2-oxooxolan-3-yl]sulfanylquinoline-4-carboxamide
PubChem CID39006286
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-cyclopropyl-2-[(3S)-2-oxooxolan-3-yl]sulfanylquinoline-4-carboxamide
SMILESO=C(NC1CC1)c1cc(S[C@H]2CCOC2=O)nc2ccccc12
InChIInChI=1S/C17H16N2O3S/c20-16(18-10-5-6-10)12-9-15(23-14-7-8-22-17(14)21)19-13-4-2-1-3-11(12)13/h1-4,9-10,14H,5-8H2,(H,18,20)/t14-/m0/s1
InChIKeyLOTQDSAFZYZCDA-AWEZNQCLSA-N
XLogP2.53
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxycyclohexyl)-2-phenylquinoline-4-carboxamide
CID 78767510
2-[1-(cycloheptylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide
CID 46647045
N-cyclopropyl-2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxamide
CID 5216224
N-cyclopropyl-2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]sulfanylquinoline-4-carboxamide
CID 27626666
N-cyclopentyl-2-(4-fluorophenyl)sulfanylquinoline-4-carboxamide
CID 4185757
N-cyclopropyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]sulfanylquinoline-4-carboxamide
CID 17413281
N-cyclopropyl-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylquinoline-4-carboxamide
CID 17413301
N-cyclopropyl-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylquinoline-4-carboxamide
CID 27624686
(3R)-3-(2-methylquinazolin-4-yl)sulfanyloxolan-2-one
CID 7145391
N-cyclopropyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757672
N-cyclopropyl-2-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]sulfanylquinoline-4-carboxamide
CID 46645921
2-(4-cyano-4-methylpentyl)sulfanyl-N-cyclopropylquinoline-4-carboxamide
CID 71864722

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(3S)-2-oxooxolan-3-yl]sulfanylquinoline-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[(3S)-2-oxooxolan-3-yl]sulfanylquinoline-4-carboxamide (CID 39006286) is N-cyclopropyl-2-[(3S)-2-oxooxolan-3-yl]sulfanylquinoline-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[(3S)-2-oxooxolan-3-yl]sulfanylquinoline-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[(3S)-2-oxooxolan-3-yl]sulfanylquinoline-4-carboxamide is O=C(NC1CC1)c1cc(S[C@H]2CCOC2=O)nc2ccccc12.
What is the InChIKey of N-cyclopropyl-2-[(3S)-2-oxooxolan-3-yl]sulfanylquinoline-4-carboxamide?
The InChIKey is LOTQDSAFZYZCDA-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H16N2O3S/c20-16(18-10-5-6-10)12-9-15(23-14-7-8-22-17(14)21)19-13-4-2-1-3-11(12)13/h1-4,9-10,14H,5-8H2,(H,18,20)/t14-/m0/s1.
What are the key properties of N-cyclopropyl-2-[(3S)-2-oxooxolan-3-yl]sulfanylquinoline-4-carboxamide?
N-cyclopropyl-2-[(3S)-2-oxooxolan-3-yl]sulfanylquinoline-4-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(3S)-2-oxooxolan-3-yl]sulfanylquinoline-4-carboxamide is sourced from PubChem (CID 39006286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).