N-(2-cyanoethyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-phenylacetamide

C24H25N5O2S — CID 16579470

IUPACN-(2-cyanoethyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-phenylacetamide
SMILESN#CCCN(C(=O)CSc1nc(CN2CCOCC2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C24H25N5O2S/c25-11-6-12-29(19-7-2-1-3-8-19)23(30)18-32-24-20-9-4-5-10-21(20)26-22(27-24)17-28-13-15-31-16-14-28/h1-5,7-10H,6,12-18H2
InChIKeyGHGNDZGANXTIOM-UHFFFAOYSA-N
MW447.56 g/mol
LogP3.50
Rot. Bonds8

About N-(2-cyanoethyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-phenylacetamide

N-(2-cyanoethyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-phenylacetamide (PubChem CID 16579470) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-phenylacetamide
PubChem CID16579470
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC NameN-(2-cyanoethyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-phenylacetamide
SMILESN#CCCN(C(=O)CSc1nc(CN2CCOCC2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C24H25N5O2S/c25-11-6-12-29(19-7-2-1-3-8-19)23(30)18-32-24-20-9-4-5-10-21(20)26-22(27-24)17-28-13-15-31-16-14-28/h1-5,7-10H,6,12-18H2
InChIKeyGHGNDZGANXTIOM-UHFFFAOYSA-N
XLogP3.50
TPSA82.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(N-[2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetyl]anilino)propanamide
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N-(2-cyanoethyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-phenylacetamide
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N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
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N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
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N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 46678837
1-(2,5-dimethylthiophen-3-yl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylethanone
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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-phenylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-phenylacetamide (CID 16579470) is N-(2-cyanoethyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-phenylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-phenylacetamide is N#CCCN(C(=O)CSc1nc(CN2CCOCC2)nc2ccccc12)c1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-phenylacetamide?
The InChIKey is GHGNDZGANXTIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c25-11-6-12-29(19-7-2-1-3-8-19)23(30)18-32-24-20-9-4-5-10-21(20)26-22(27-24)17-28-13-15-31-16-14-28/h1-5,7-10H,6,12-18H2.
What are the key properties of N-(2-cyanoethyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-phenylacetamide?
N-(2-cyanoethyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-phenylacetamide has a molecular weight of 447.56 g/mol, XLogP of 3.50, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 16579470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).