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

C18H25N3O3S — CID 48730377

IUPAC2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N,3-trimethylbutanamide
SMILESCC(C)C(Sc1nc2ccccc2c(=O)n1CCCO)C(=O)N(C)C
InChIInChI=1S/C18H25N3O3S/c1-12(2)15(17(24)20(3)4)25-18-19-14-9-6-5-8-13(14)16(23)21(18)10-7-11-22/h5-6,8-9,12,15,22H,7,10-11H2,1-4H3
InChIKeyGGJIKJOATALTFC-UHFFFAOYSA-N
MW363.48 g/mol
LogP1.98
Rot. Bonds7

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

2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N,3-trimethylbutanamide (PubChem CID 48730377) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N,3-trimethylbutanamide.

Molecular Properties

Compound Name2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N,3-trimethylbutanamide
PubChem CID48730377
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N,3-trimethylbutanamide
SMILESCC(C)C(Sc1nc2ccccc2c(=O)n1CCCO)C(=O)N(C)C
InChIInChI=1S/C18H25N3O3S/c1-12(2)15(17(24)20(3)4)25-18-19-14-9-6-5-8-13(14)16(23)21(18)10-7-11-22/h5-6,8-9,12,15,22H,7,10-11H2,1-4H3
InChIKeyGGJIKJOATALTFC-UHFFFAOYSA-N
XLogP1.98
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 51.98
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-dimethyl-2-phenylacetamide
CID 18199325
(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
(2S)-N-carbamoyl-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-3-methylbutanamide
CID 7855393
3-(3-hydroxypropyl)-2-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanylquinazolin-4-one
CID 135784472
(2S)-N-carbamoyl-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-3-methylbutanamide
CID 7803396
2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 18203456
(2S)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide
CID 7856781
2-[(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl]sulfanyl-3-(3-hydroxypropyl)quinazolin-4-one
CID 40815594
(2R)-N-[(4-fluorophenyl)methyl]-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 8577379
(2S)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 2575254
3-(3-hydroxypropyl)-2-(2-methylprop-2-enylsulfanyl)quinazolin-4-one
CID 47095161

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N,3-trimethylbutanamide?
The IUPAC name of 2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N,3-trimethylbutanamide (CID 48730377) is 2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N,3-trimethylbutanamide.
What is the SMILES notation for 2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N,3-trimethylbutanamide?
The canonical SMILES for 2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N,3-trimethylbutanamide is CC(C)C(Sc1nc2ccccc2c(=O)n1CCCO)C(=O)N(C)C.
What is the InChIKey of 2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N,3-trimethylbutanamide?
The InChIKey is GGJIKJOATALTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-12(2)15(17(24)20(3)4)25-18-19-14-9-6-5-8-13(14)16(23)21(18)10-7-11-22/h5-6,8-9,12,15,22H,7,10-11H2,1-4H3.
What are the key properties of 2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N,3-trimethylbutanamide?
2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N,3-trimethylbutanamide has a molecular weight of 363.48 g/mol, XLogP of 1.98, 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,3-trimethylbutanamide is sourced from PubChem (CID 48730377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).