N-(5-chloro-2-methoxyphenyl)-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide

C18H17ClN4O2S — CID 30970669

IUPACN-(5-chloro-2-methoxyphenyl)-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide
SMILESCNc1nc(SCC(=O)Nc2cc(Cl)ccc2OC)nc2ccccc12
InChIInChI=1S/C18H17ClN4O2S/c1-20-17-12-5-3-4-6-13(12)22-18(23-17)26-10-16(24)21-14-9-11(19)7-8-15(14)25-2/h3-9H,10H2,1-2H3,(H,21,24)(H,20,22,23)
InChIKeyMFXFECJOQYOACA-UHFFFAOYSA-N
MW388.88 g/mol
LogP4.06
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide

N-(5-chloro-2-methoxyphenyl)-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide (PubChem CID 30970669) has the molecular formula C18H17ClN4O2S and a molecular weight of 388.88 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide
PubChem CID30970669
Molecular FormulaC18H17ClN4O2S
Molecular Weight388.88 g/mol
Exact Mass388.08
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide
SMILESCNc1nc(SCC(=O)Nc2cc(Cl)ccc2OC)nc2ccccc12
InChIInChI=1S/C18H17ClN4O2S/c1-20-17-12-5-3-4-6-13(12)22-18(23-17)26-10-16(24)21-14-9-11(19)7-8-15(14)25-2/h3-9H,10H2,1-2H3,(H,21,24)(H,20,22,23)
InChIKeyMFXFECJOQYOACA-UHFFFAOYSA-N
XLogP4.06
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 2478471
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N-(5-chloro-2-methoxyphenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide
CID 7509869
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CID 19060444
N-(5-chloro-2-methoxyphenyl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]sulfanylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide (CID 30970669) is N-(5-chloro-2-methoxyphenyl)-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide is CNc1nc(SCC(=O)Nc2cc(Cl)ccc2OC)nc2ccccc12.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide?
The InChIKey is MFXFECJOQYOACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2S/c1-20-17-12-5-3-4-6-13(12)22-18(23-17)26-10-16(24)21-14-9-11(19)7-8-15(14)25-2/h3-9H,10H2,1-2H3,(H,21,24)(H,20,22,23).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide?
N-(5-chloro-2-methoxyphenyl)-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide has a molecular weight of 388.88 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 30970669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).