N-(cyclopropylmethyl)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide

C24H27N3O2S — CID 8873659

IUPACN-(cyclopropylmethyl)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide
SMILESCCCN(CC1CC1)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C
InChIInChI=1S/C24H27N3O2S/c1-3-14-26(15-18-12-13-18)22(28)16-30-24-25-20-10-6-5-9-19(20)23(29)27(24)21-11-7-4-8-17(21)2/h4-11,18H,3,12-16H2,1-2H3
InChIKeyUZRGRULYUGHERT-UHFFFAOYSA-N
MW421.57 g/mol
LogP4.43
Rot. Bonds8

About N-(cyclopropylmethyl)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide

N-(cyclopropylmethyl)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide (PubChem CID 8873659) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide
PubChem CID8873659
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC NameN-(cyclopropylmethyl)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide
SMILESCCCN(CC1CC1)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C
InChIInChI=1S/C24H27N3O2S/c1-3-14-26(15-18-12-13-18)22(28)16-30-24-25-20-10-6-5-9-19(20)23(29)27(24)21-11-7-4-8-17(21)2/h4-11,18H,3,12-16H2,1-2H3
InChIKeyUZRGRULYUGHERT-UHFFFAOYSA-N
XLogP4.43
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-2-[[5-(1H-indol-3-yl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propylacetamide
CID 2429505
N-cyclopropyl-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2588477
3-(2-methylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one
CID 2588505
2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
CID 2699823
N-butyl-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2588355
3-(2-methylphenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one
CID 8873721
N'-acetyl-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetohydrazide
CID 8873626
2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylacetamide
CID 8857939
N,N-diethyl-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1272963
2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dipropylacetamide
CID 4163426
2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-bis(2-methylpropyl)acetamide
CID 3988661
2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylacetamide
CID 8524705

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide (CID 8873659) is N-(cyclopropylmethyl)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide is CCCN(CC1CC1)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C.
What is the InChIKey of N-(cyclopropylmethyl)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide?
The InChIKey is UZRGRULYUGHERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-3-14-26(15-18-12-13-18)22(28)16-30-24-25-20-10-6-5-9-19(20)23(29)27(24)21-11-7-4-8-17(21)2/h4-11,18H,3,12-16H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide?
N-(cyclopropylmethyl)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide has a molecular weight of 421.57 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide is sourced from PubChem (CID 8873659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).