2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide

C22H25N3O3S — CID 2998043

IUPAC2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1
InChIInChI=1S/C22H25N3O3S/c1-15-7-2-4-10-18(15)23-20(26)14-29-22-24-19-11-5-3-9-17(19)21(27)25(22)13-16-8-6-12-28-16/h3,5-6,8-9,11-12,15,18H,2,4,7,10,13-14H2,1H3,(H,23,26)
InChIKeyZHNDYBXXOGNZLC-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.82
Rot. Bonds6

About 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide

2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide (PubChem CID 2998043) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide
PubChem CID2998043
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1
InChIInChI=1S/C22H25N3O3S/c1-15-7-2-4-10-18(15)23-20(26)14-29-22-24-19-11-5-3-9-17(19)21(27)25(22)13-16-8-6-12-28-16/h3,5-6,8-9,11-12,15,18H,2,4,7,10,13-14H2,1H3,(H,23,26)
InChIKeyZHNDYBXXOGNZLC-UHFFFAOYSA-N
XLogP3.82
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4(3H)-Quinazolinone, 3-furfuryl-2-methyl-
CID 64027
Balaglitazone
CID 9889200
3-(2-Furylmethyl)-2-(mesitylimino)-1,3-thiazolan-4-one
CID 557424
2-amino-N-(furan-2-ylmethyl)benzamide
CID 841269
2-{5-[(4-fluorobenzyl)thio]-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-2-yl}-N-(2-furylmethyl)acetamide
CID 3243352
2-Furan-2-yl-3-phenethyl-3H-quinazolin-4-one
CID 683379
N-(4-oxo-4H-3,1-benzothiazin-2-yl)-2-furamide
CID 2810063
2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide
CID 3936405
N-cyclopropyl-2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]benzamide
CID 9204530
2-Allylsulfanyl-3-furan-2-ylmethyl-3H-quinazolin-4-one
CID 331177
3-(Furan-2-ylmethyl)quinazolin-4-one
CID 332456
3-Benzyl-2-(2-furyl)-3,4-dihydro-4-quinazolinone
CID 563918

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide (CID 2998043) is 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide is CC1CCCCC1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1.
What is the InChIKey of 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide?
The InChIKey is ZHNDYBXXOGNZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-15-7-2-4-10-18(15)23-20(26)14-29-22-24-19-11-5-3-9-17(19)21(27)25(22)13-16-8-6-12-28-16/h3,5-6,8-9,11-12,15,18H,2,4,7,10,13-14H2,1H3,(H,23,26).
What are the key properties of 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide?
2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide has a molecular weight of 411.53 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 2998043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).