3-[(2-cyclopropylquinazolin-4-yl)-propan-2-ylamino]-1-pyrrolidin-1-ylpropan-1-one

C21H28N4O — CID 42809452

IUPAC3-[(2-cyclopropylquinazolin-4-yl)-propan-2-ylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)N(CCC(=O)N1CCCC1)c1nc(C2CC2)nc2ccccc12
InChIInChI=1S/C21H28N4O/c1-15(2)25(14-11-19(26)24-12-5-6-13-24)21-17-7-3-4-8-18(17)22-20(23-21)16-9-10-16/h3-4,7-8,15-16H,5-6,9-14H2,1-2H3
InChIKeyBUXNPIWBJOBAJT-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.73
Rot. Bonds6

About 3-[(2-cyclopropylquinazolin-4-yl)-propan-2-ylamino]-1-pyrrolidin-1-ylpropan-1-one

3-[(2-cyclopropylquinazolin-4-yl)-propan-2-ylamino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 42809452) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-[(2-cyclopropylquinazolin-4-yl)-propan-2-ylamino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(2-cyclopropylquinazolin-4-yl)-propan-2-ylamino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID42809452
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name3-[(2-cyclopropylquinazolin-4-yl)-propan-2-ylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)N(CCC(=O)N1CCCC1)c1nc(C2CC2)nc2ccccc12
InChIInChI=1S/C21H28N4O/c1-15(2)25(14-11-19(26)24-12-5-6-13-24)21-17-7-3-4-8-18(17)22-20(23-21)16-9-10-16/h3-4,7-8,15-16H,5-6,9-14H2,1-2H3
InChIKeyBUXNPIWBJOBAJT-UHFFFAOYSA-N
XLogP3.73
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-cyclopropylquinazolin-4-yl)-propylamino]propanoic acid
CID 42809423
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-[4-(1-phenylethyl)piperazin-1-yl]ethanone
CID 24579297
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 24579397
3-[propan-2-yl(quinazolin-4-yl)amino]propanoic acid
CID 60895280
3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 83288989
N-butan-2-yl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)naphthalene-1-carboxamide
CID 42703557
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-phenylacetamide
CID 113123338
4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]-N-phenylpiperazine-1-carboxamide
CID 24579377
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 24579367
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 24579325
1-(azepan-1-yl)-3-(N-ethylanilino)propan-1-one
CID 109033514
2-chloro-N-(cyclopropylmethyl)-N-propan-2-ylquinazolin-4-amine
CID 62476660

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopropylquinazolin-4-yl)-propan-2-ylamino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[(2-cyclopropylquinazolin-4-yl)-propan-2-ylamino]-1-pyrrolidin-1-ylpropan-1-one (CID 42809452) is 3-[(2-cyclopropylquinazolin-4-yl)-propan-2-ylamino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(2-cyclopropylquinazolin-4-yl)-propan-2-ylamino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(2-cyclopropylquinazolin-4-yl)-propan-2-ylamino]-1-pyrrolidin-1-ylpropan-1-one is CC(C)N(CCC(=O)N1CCCC1)c1nc(C2CC2)nc2ccccc12.
What is the InChIKey of 3-[(2-cyclopropylquinazolin-4-yl)-propan-2-ylamino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is BUXNPIWBJOBAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-15(2)25(14-11-19(26)24-12-5-6-13-24)21-17-7-3-4-8-18(17)22-20(23-21)16-9-10-16/h3-4,7-8,15-16H,5-6,9-14H2,1-2H3.
What are the key properties of 3-[(2-cyclopropylquinazolin-4-yl)-propan-2-ylamino]-1-pyrrolidin-1-ylpropan-1-one?
3-[(2-cyclopropylquinazolin-4-yl)-propan-2-ylamino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 352.48 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropylquinazolin-4-yl)-propan-2-ylamino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 42809452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).