3-(N-[2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetyl]anilino)propanamide

C24H27N5O3S — CID 24585303

IUPAC3-(N-[2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetyl]anilino)propanamide
SMILESNC(=O)CCN(C(=O)CSc1nc(CN2CCOCC2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C24H27N5O3S/c25-21(30)10-11-29(18-6-2-1-3-7-18)23(31)17-33-24-19-8-4-5-9-20(19)26-22(27-24)16-28-12-14-32-15-13-28/h1-9H,10-17H2,(H2,25,30)
InChIKeyIPFSUIRJTTUUFV-UHFFFAOYSA-N
MW465.58 g/mol
LogP2.46
Rot. Bonds9

About 3-(N-[2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetyl]anilino)propanamide

3-(N-[2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetyl]anilino)propanamide (PubChem CID 24585303) has the molecular formula C24H27N5O3S and a molecular weight of 465.58 g/mol. Its IUPAC name is 3-(N-[2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetyl]anilino)propanamide.

Molecular Properties

Compound Name3-(N-[2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetyl]anilino)propanamide
PubChem CID24585303
Molecular FormulaC24H27N5O3S
Molecular Weight465.58 g/mol
Exact Mass465.18
IUPAC Name3-(N-[2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetyl]anilino)propanamide
SMILESNC(=O)CCN(C(=O)CSc1nc(CN2CCOCC2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C24H27N5O3S/c25-21(30)10-11-29(18-6-2-1-3-7-18)23(31)17-33-24-19-8-4-5-9-20(19)26-22(27-24)16-28-12-14-32-15-13-28/h1-9H,10-17H2,(H2,25,30)
InChIKeyIPFSUIRJTTUUFV-UHFFFAOYSA-N
XLogP2.46
TPSA101.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-cyanoethyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-phenylacetamide
CID 16579470
N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-(thiophen-3-ylmethyl)acetamide
CID 25451624
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 17440826
N-[(2S)-butan-2-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 30253432
2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 51928613
4-[[4-(2-phenylethylsulfanyl)quinazolin-2-yl]methyl]morpholine
CID 52545224
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 46678837
N-[(2-fluorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 46678950
1-(2,5-dimethylthiophen-3-yl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylethanone
CID 17489315
N-(2,3-dimethylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 46672702
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 30281892
4-[[4-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine
CID 16581399

Frequently Asked Questions

What is the IUPAC name of 3-(N-[2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetyl]anilino)propanamide?
The IUPAC name of 3-(N-[2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetyl]anilino)propanamide (CID 24585303) is 3-(N-[2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetyl]anilino)propanamide.
What is the SMILES notation for 3-(N-[2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetyl]anilino)propanamide?
The canonical SMILES for 3-(N-[2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetyl]anilino)propanamide is NC(=O)CCN(C(=O)CSc1nc(CN2CCOCC2)nc2ccccc12)c1ccccc1.
What is the InChIKey of 3-(N-[2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetyl]anilino)propanamide?
The InChIKey is IPFSUIRJTTUUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3S/c25-21(30)10-11-29(18-6-2-1-3-7-18)23(31)17-33-24-19-8-4-5-9-20(19)26-22(27-24)16-28-12-14-32-15-13-28/h1-9H,10-17H2,(H2,25,30).
What are the key properties of 3-(N-[2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetyl]anilino)propanamide?
3-(N-[2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetyl]anilino)propanamide has a molecular weight of 465.58 g/mol, XLogP of 2.46, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-[2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetyl]anilino)propanamide is sourced from PubChem (CID 24585303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).