2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethyl-2-phenylacetamide

C21H23N3O3S — CID 18199325

IUPAC2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethyl-2-phenylacetamide
SMILESCN(C)C(=O)C(Sc1nc2ccccc2c(=O)n1CCCO)c1ccccc1
InChIInChI=1S/C21H23N3O3S/c1-23(2)20(27)18(15-9-4-3-5-10-15)28-21-22-17-12-7-6-11-16(17)19(26)24(21)13-8-14-25/h3-7,9-12,18,25H,8,13-14H2,1-2H3
InChIKeyHPLXGZQKLMRAMF-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.70
Rot. Bonds7

About 2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethyl-2-phenylacetamide

2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethyl-2-phenylacetamide (PubChem CID 18199325) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethyl-2-phenylacetamide
PubChem CID18199325
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethyl-2-phenylacetamide
SMILESCN(C)C(=O)C(Sc1nc2ccccc2c(=O)n1CCCO)c1ccccc1
InChIInChI=1S/C21H23N3O3S/c1-23(2)20(27)18(15-9-4-3-5-10-15)28-21-22-17-12-7-6-11-16(17)19(26)24(21)13-8-14-25/h3-7,9-12,18,25H,8,13-14H2,1-2H3
InChIKeyHPLXGZQKLMRAMF-UHFFFAOYSA-N
XLogP2.70
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N,3-trimethylbutanamide
CID 48730377
2-[(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl]sulfanyl-3-(3-hydroxypropyl)quinazolin-4-one
CID 40815594
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide
CID 51217052
(2R)-N-ethyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 8603417
(2S)-N-ethyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 8603418
2-butylsulfanyl-3-(3-hydroxypropyl)quinazolin-4-one
CID 78815225
3-(3-hydroxypropyl)-2-(2-methylprop-2-enylsulfanyl)quinazolin-4-one
CID 47095161
2-benzylsulfanyl-3-(3-hydroxypropyl)quinazolin-4-one
CID 4825111
N,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetamide
CID 51209080
methyl 2-[2-(dimethylamino)-2-oxo-1-phenylethyl]sulfanyl-3-(2-methylpropyl)-4-oxoquinazoline-7-carboxylate
CID 42895373
3-(3-hydroxypropyl)-2-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanylquinazolin-4-one
CID 135784472
ethyl (2S)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetate
CID 9360454

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethyl-2-phenylacetamide?
The IUPAC name of 2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethyl-2-phenylacetamide (CID 18199325) is 2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethyl-2-phenylacetamide.
What is the SMILES notation for 2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethyl-2-phenylacetamide?
The canonical SMILES for 2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethyl-2-phenylacetamide is CN(C)C(=O)C(Sc1nc2ccccc2c(=O)n1CCCO)c1ccccc1.
What is the InChIKey of 2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethyl-2-phenylacetamide?
The InChIKey is HPLXGZQKLMRAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-23(2)20(27)18(15-9-4-3-5-10-15)28-21-22-17-12-7-6-11-16(17)19(26)24(21)13-8-14-25/h3-7,9-12,18,25H,8,13-14H2,1-2H3.
What are the key properties of 2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethyl-2-phenylacetamide?
2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethyl-2-phenylacetamide has a molecular weight of 397.50 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethyl-2-phenylacetamide is sourced from PubChem (CID 18199325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).