N-[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide

C21H20ClN3O3S — CID 16571538

IUPACN-[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide
SMILESCCCn1c(SCC(=O)NC(=O)Cc2ccccc2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C21H20ClN3O3S/c1-2-10-25-20(28)16-9-8-15(22)12-17(16)23-21(25)29-13-19(27)24-18(26)11-14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3,(H,24,26,27)
InChIKeyHKFMWZWOCHSMHA-UHFFFAOYSA-N
MW429.93 g/mol
LogP3.44
Rot. Bonds7

About N-[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide

N-[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide (PubChem CID 16571538) has the molecular formula C21H20ClN3O3S and a molecular weight of 429.93 g/mol. Its IUPAC name is N-[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide
PubChem CID16571538
Molecular FormulaC21H20ClN3O3S
Molecular Weight429.93 g/mol
Exact Mass429.09
IUPAC NameN-[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide
SMILESCCCn1c(SCC(=O)NC(=O)Cc2ccccc2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C21H20ClN3O3S/c1-2-10-25-20(28)16-9-8-15(22)12-17(16)23-21(25)29-13-19(27)24-18(26)11-14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3,(H,24,26,27)
InChIKeyHKFMWZWOCHSMHA-UHFFFAOYSA-N
XLogP3.44
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.93
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethylacetamide
CID 2488330
N-[2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide
CID 16569833
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 2488402
N-butyl-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 7738113
N-(2-acetylphenyl)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 2488352
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 16510383
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide
CID 7738199
methyl 2-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]benzoate
CID 2488443
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(2-cyanophenyl)acetamide
CID 7359666
N-benzyl-2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2611271
N-benzyl-2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2431044
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 24593532

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide?
The IUPAC name of N-[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide (CID 16571538) is N-[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide is CCCn1c(SCC(=O)NC(=O)Cc2ccccc2)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of N-[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide?
The InChIKey is HKFMWZWOCHSMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3S/c1-2-10-25-20(28)16-9-8-15(22)12-17(16)23-21(25)29-13-19(27)24-18(26)11-14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3,(H,24,26,27).
What are the key properties of N-[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide?
N-[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide has a molecular weight of 429.93 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide is sourced from PubChem (CID 16571538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).