3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one

C29H29ClN4O — CID 83288989

IUPAC3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCN(CCc1ccccc1)c1nc(-c2ccccc2Cl)nc2ccccc12)N1CCCC1
InChIInChI=1S/C29H29ClN4O/c30-25-14-6-4-12-23(25)28-31-26-15-7-5-13-24(26)29(32-28)34(20-16-22-10-2-1-3-11-22)21-17-27(35)33-18-8-9-19-33/h1-7,10-15H,8-9,16-21H2
InChIKeyZIJOZNDXAUKAMC-UHFFFAOYSA-N
MW485.03 g/mol
LogP6.01
Rot. Bonds8

About 3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one

3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 83288989) has the molecular formula C29H29ClN4O and a molecular weight of 485.03 g/mol. Its IUPAC name is 3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID83288989
Molecular FormulaC29H29ClN4O
Molecular Weight485.03 g/mol
Exact Mass484.20
IUPAC Name3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCN(CCc1ccccc1)c1nc(-c2ccccc2Cl)nc2ccccc12)N1CCCC1
InChIInChI=1S/C29H29ClN4O/c30-25-14-6-4-12-23(25)28-31-26-15-7-5-13-24(26)29(32-28)34(20-16-22-10-2-1-3-11-22)21-17-27(35)33-18-8-9-19-33/h1-7,10-15H,8-9,16-21H2
InChIKeyZIJOZNDXAUKAMC-UHFFFAOYSA-N
XLogP6.01
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.03
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one with MolForge

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Related Compounds

N-benzyl-3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]propanamide
CID 83281785
1-(4-ethylpiperazin-1-yl)-3-[(2-phenylquinazolin-4-yl)-propylamino]propan-1-one
CID 42809522
2-(2-chlorophenyl)-4-pyrrolidin-1-ylquinazoline
CID 914453
3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]-N-(furan-2-ylmethyl)propanamide
CID 83273334
3-[(2-cyclopropylquinazolin-4-yl)-propan-2-ylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 42809452
4-[[2-(2-chlorophenyl)quinazolin-4-yl]methyl]piperazine-1-carboxamide
CID 91553260
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[propyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propan-1-one
CID 42809633
11-phenyl-1-pyrrolidin-1-ylundecan-1-one
CID 10805309
3-(4-chlorophenyl)-1-[4-(2-chloroquinazolin-4-yl)piperazin-1-yl]propan-1-one
CID 90988226
1-(azepan-1-yl)-3-(N-ethylanilino)propan-1-one
CID 109033514
2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylquinazoline
CID 914636
N-benzyl-N-[3-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-3-oxopropyl]acetamide
CID 86880739

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one (CID 83288989) is 3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one is O=C(CCN(CCc1ccccc1)c1nc(-c2ccccc2Cl)nc2ccccc12)N1CCCC1.
What is the InChIKey of 3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is ZIJOZNDXAUKAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29ClN4O/c30-25-14-6-4-12-23(25)28-31-26-15-7-5-13-24(26)29(32-28)34(20-16-22-10-2-1-3-11-22)21-17-27(35)33-18-8-9-19-33/h1-7,10-15H,8-9,16-21H2.
What are the key properties of 3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 485.03 g/mol, XLogP of 6.01, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 83288989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).