(3R)-1-[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]piperidine-3-carboxamide

C19H22N4O3S — CID 8981662

IUPAC(3R)-1-[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(C(=O)CSc2nc3ccccc3c(=O)n2C2CC2)C1
InChIInChI=1S/C19H22N4O3S/c20-17(25)12-4-3-9-22(10-12)16(24)11-27-19-21-15-6-2-1-5-14(15)18(26)23(19)13-7-8-13/h1-2,5-6,12-13H,3-4,7-11H2,(H2,20,25)/t12-/m1/s1
InChIKeyDNFNNCCOHYONTA-GFCCVEGCSA-N
MW386.48 g/mol
LogP1.55
Rot. Bonds5

About (3R)-1-[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]piperidine-3-carboxamide

(3R)-1-[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]piperidine-3-carboxamide (PubChem CID 8981662) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is (3R)-1-[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]piperidine-3-carboxamide
PubChem CID8981662
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name(3R)-1-[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(C(=O)CSc2nc3ccccc3c(=O)n2C2CC2)C1
InChIInChI=1S/C19H22N4O3S/c20-17(25)12-4-3-9-22(10-12)16(24)11-27-19-21-15-6-2-1-5-14(15)18(26)23(19)13-7-8-13/h1-2,5-6,12-13H,3-4,7-11H2,(H2,20,25)/t12-/m1/s1
InChIKeyDNFNNCCOHYONTA-GFCCVEGCSA-N
XLogP1.55
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-1-[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]piperidine-3-carboxamide with MolForge

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Related Compounds

3-cyclohexyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one
CID 1213864
3-cyclohexyl-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 42968012
(3S)-1-[2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-3-carboxamide
CID 8807532
3-cyclopropyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one
CID 8979691
3-cyclopentyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 78764352
2-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]sulfanyl-3-cyclopropylquinazolin-4-one
CID 8981753
3-cyclopropyl-2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanylquinazolin-4-one
CID 8981120
3-methyl-2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one
CID 7421358
1-[2-(4-anilinoquinazolin-2-yl)sulfanylacetyl]piperidine-3-carboxamide
CID 17434076
3-cyclopentyl-2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanylquinazolin-4-one
CID 7988444
3-cyclopropyl-2-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one
CID 8981712
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 8979979

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]piperidine-3-carboxamide (CID 8981662) is (3R)-1-[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]piperidine-3-carboxamide is NC(=O)[C@@H]1CCCN(C(=O)CSc2nc3ccccc3c(=O)n2C2CC2)C1.
What is the InChIKey of (3R)-1-[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]piperidine-3-carboxamide?
The InChIKey is DNFNNCCOHYONTA-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H22N4O3S/c20-17(25)12-4-3-9-22(10-12)16(24)11-27-19-21-15-6-2-1-5-14(15)18(26)23(19)13-7-8-13/h1-2,5-6,12-13H,3-4,7-11H2,(H2,20,25)/t12-/m1/s1.
What are the key properties of (3R)-1-[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]piperidine-3-carboxamide?
(3R)-1-[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]piperidine-3-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]piperidine-3-carboxamide is sourced from PubChem (CID 8981662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).