N-(4-aminoquinazolin-6-yl)-3-[(2-methylsulfonylacetyl)amino]propanamide

C14H17N5O4S — CID 141145315

IUPACN-(4-aminoquinazolin-6-yl)-3-[(2-methylsulfonylacetyl)amino]propanamide
SMILESCS(=O)(=O)CC(=O)NCCC(=O)Nc1ccc2ncnc(N)c2c1
InChIInChI=1S/C14H17N5O4S/c1-24(22,23)7-13(21)16-5-4-12(20)19-9-2-3-11-10(6-9)14(15)18-8-17-11/h2-3,6,8H,4-5,7H2,1H3,(H,16,21)(H,19,20)(H2,15,17,18)
InChIKeyKZBSKCAVVGWGHA-UHFFFAOYSA-N
MW351.39 g/mol
LogP-0.30
Rot. Bonds6

About N-(4-aminoquinazolin-6-yl)-3-[(2-methylsulfonylacetyl)amino]propanamide

N-(4-aminoquinazolin-6-yl)-3-[(2-methylsulfonylacetyl)amino]propanamide (PubChem CID 141145315) has the molecular formula C14H17N5O4S and a molecular weight of 351.39 g/mol. Its IUPAC name is N-(4-aminoquinazolin-6-yl)-3-[(2-methylsulfonylacetyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-aminoquinazolin-6-yl)-3-[(2-methylsulfonylacetyl)amino]propanamide
PubChem CID141145315
Molecular FormulaC14H17N5O4S
Molecular Weight351.39 g/mol
Exact Mass351.10
IUPAC NameN-(4-aminoquinazolin-6-yl)-3-[(2-methylsulfonylacetyl)amino]propanamide
SMILESCS(=O)(=O)CC(=O)NCCC(=O)Nc1ccc2ncnc(N)c2c1
InChIInChI=1S/C14H17N5O4S/c1-24(22,23)7-13(21)16-5-4-12(20)19-9-2-3-11-10(6-9)14(15)18-8-17-11/h2-3,6,8H,4-5,7H2,1H3,(H,16,21)(H,19,20)(H2,15,17,18)
InChIKeyKZBSKCAVVGWGHA-UHFFFAOYSA-N
XLogP-0.30
TPSA144.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(N-ethylanilino)quinazolin-6-yl]-3-[(2-methylsulfonylacetyl)amino]propanamide
CID 69462798
[3-[[4-(N-ethylanilino)quinazolin-6-yl]amino]-3-oxopropyl]carbamic acid
CID 69463489
tert-butyl N-[4-(4-aminoquinazolin-6-yl)phenyl]carbamate
CID 72705111
N-(4-aminophenyl)-2-methylsulfonylacetamide
CID 61025052
N-[4-(2-phenylethylamino)quinazolin-6-yl]-3-(prop-2-enoylamino)propanamide
CID 69463534
N-[3-(4-aminoquinazolin-6-yl)phenyl]-2-(oxolan-2-yl)acetamide
CID 90055031
N-(4-ethoxy-3-sulfamoylphenyl)-2-methylsulfonylacetamide
CID 61381356
N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-cyclopropylacetamide
CID 90054625
3-[[2-(dimethylamino)acetyl]amino]-N-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]propanamide
CID 11613210
tert-butyl N-[3-[[4-[(2-benzylazaindigol-3-yl)amino]quinazolin-6-yl]amino]-3-oxopropyl]carbamate
CID 140521839
methyl 3-[(2-methylsulfonylacetyl)amino]benzoate
CID 61344209
6-tert-butylquinazolin-4-amine
CID 58008725

Frequently Asked Questions

What is the IUPAC name of N-(4-aminoquinazolin-6-yl)-3-[(2-methylsulfonylacetyl)amino]propanamide?
The IUPAC name of N-(4-aminoquinazolin-6-yl)-3-[(2-methylsulfonylacetyl)amino]propanamide (CID 141145315) is N-(4-aminoquinazolin-6-yl)-3-[(2-methylsulfonylacetyl)amino]propanamide.
What is the SMILES notation for N-(4-aminoquinazolin-6-yl)-3-[(2-methylsulfonylacetyl)amino]propanamide?
The canonical SMILES for N-(4-aminoquinazolin-6-yl)-3-[(2-methylsulfonylacetyl)amino]propanamide is CS(=O)(=O)CC(=O)NCCC(=O)Nc1ccc2ncnc(N)c2c1.
What is the InChIKey of N-(4-aminoquinazolin-6-yl)-3-[(2-methylsulfonylacetyl)amino]propanamide?
The InChIKey is KZBSKCAVVGWGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O4S/c1-24(22,23)7-13(21)16-5-4-12(20)19-9-2-3-11-10(6-9)14(15)18-8-17-11/h2-3,6,8H,4-5,7H2,1H3,(H,16,21)(H,19,20)(H2,15,17,18).
What are the key properties of N-(4-aminoquinazolin-6-yl)-3-[(2-methylsulfonylacetyl)amino]propanamide?
N-(4-aminoquinazolin-6-yl)-3-[(2-methylsulfonylacetyl)amino]propanamide has a molecular weight of 351.39 g/mol, XLogP of -0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminoquinazolin-6-yl)-3-[(2-methylsulfonylacetyl)amino]propanamide is sourced from PubChem (CID 141145315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).