2-amino-3-(4-chlorophenyl)-1-[4-(6-phenylquinazolin-4-yl)piperazin-1-yl]propan-1-one

C27H26ClN5O — CID 67538941

IUPAC2-amino-3-(4-chlorophenyl)-1-[4-(6-phenylquinazolin-4-yl)piperazin-1-yl]propan-1-one
SMILESNC(Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3ccc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C27H26ClN5O/c28-22-9-6-19(7-10-22)16-24(29)27(34)33-14-12-32(13-15-33)26-23-17-21(20-4-2-1-3-5-20)8-11-25(23)30-18-31-26/h1-11,17-18,24H,12-16,29H2
InChIKeyCEDTYXKBYYSJLX-UHFFFAOYSA-N
MW471.99 g/mol
LogP4.17
Rot. Bonds5

About 2-amino-3-(4-chlorophenyl)-1-[4-(6-phenylquinazolin-4-yl)piperazin-1-yl]propan-1-one

2-amino-3-(4-chlorophenyl)-1-[4-(6-phenylquinazolin-4-yl)piperazin-1-yl]propan-1-one (PubChem CID 67538941) has the molecular formula C27H26ClN5O and a molecular weight of 471.99 g/mol. Its IUPAC name is 2-amino-3-(4-chlorophenyl)-1-[4-(6-phenylquinazolin-4-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-3-(4-chlorophenyl)-1-[4-(6-phenylquinazolin-4-yl)piperazin-1-yl]propan-1-one
PubChem CID67538941
Molecular FormulaC27H26ClN5O
Molecular Weight471.99 g/mol
Exact Mass471.18
IUPAC Name2-amino-3-(4-chlorophenyl)-1-[4-(6-phenylquinazolin-4-yl)piperazin-1-yl]propan-1-one
SMILESNC(Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3ccc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C27H26ClN5O/c28-22-9-6-19(7-10-22)16-24(29)27(34)33-14-12-32(13-15-33)26-23-17-21(20-4-2-1-3-5-20)8-11-25(23)30-18-31-26/h1-11,17-18,24H,12-16,29H2
InChIKeyCEDTYXKBYYSJLX-UHFFFAOYSA-N
XLogP4.17
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.99
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Senexin B
CID 71661259
N-{4-[(2-carbamimidamidocyclohexyl)amino]-6-methylquinazolin-2-yl}-4-chlorobenzamide
CID 17864714
N-(4-{[(1S,2R)-2-carbamimidamidocyclohexyl]amino}-6-methylquinazolin-2-yl)-4-chlorobenzamide
CID 25190636
5-(4-((3-Chlorobenzyl)amino)-2-(4-(2-(dimethylamino)ethyl)piperazin-1-yl)quinazolin-6-yl)-1-methylpyridin-2(1H)-one
CID 129182189
3-(2-aminoquinazolin-6-yl)-4-chloro-N-(3-(trifluoromethyl)-phenyl)benzamide
CID 11683692
N-(4-{[(1R,2S)-2-carbamimidamidocyclohexyl]amino}-6-methylquinazolin-2-yl)-4-chlorobenzamide
CID 25190637
6-(2-chlorophenyl)-N-piperidin-4-ylquinazolin-4-amine
CID 3233369
N-benzyl-4-(4-chlorophenyl)-N-ethylquinazoline-2-carboxamide
CID 90655956
(R)-2-amino-3-(4-chlorophenyl)-1-(4-(quinazolin-4-yl)piperazin-1-yl)propan-1-one
CID 11246455
N'-(2-{4-[bis-(4-chlorophenyl)methyl]piperazin-1-ylmethyl}quinazolin-4-yl)-N,N-dimethylpropane-1,3-diamine
CID 12001922
3-(2-aminoquinazolin-6-yl)-1-(4-chlorophenyl)-4-methylpyridin-2(1H)-one
CID 24879184
3-(2-aminoquinazolin-6-yl)-1-(4-chloro-3-fluorophenyl)-4-methylpyridin-2(1H)-one
CID 24879242

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-chlorophenyl)-1-[4-(6-phenylquinazolin-4-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-amino-3-(4-chlorophenyl)-1-[4-(6-phenylquinazolin-4-yl)piperazin-1-yl]propan-1-one (CID 67538941) is 2-amino-3-(4-chlorophenyl)-1-[4-(6-phenylquinazolin-4-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-3-(4-chlorophenyl)-1-[4-(6-phenylquinazolin-4-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-3-(4-chlorophenyl)-1-[4-(6-phenylquinazolin-4-yl)piperazin-1-yl]propan-1-one is NC(Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3ccc(-c4ccccc4)cc23)CC1.
What is the InChIKey of 2-amino-3-(4-chlorophenyl)-1-[4-(6-phenylquinazolin-4-yl)piperazin-1-yl]propan-1-one?
The InChIKey is CEDTYXKBYYSJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN5O/c28-22-9-6-19(7-10-22)16-24(29)27(34)33-14-12-32(13-15-33)26-23-17-21(20-4-2-1-3-5-20)8-11-25(23)30-18-31-26/h1-11,17-18,24H,12-16,29H2.
What are the key properties of 2-amino-3-(4-chlorophenyl)-1-[4-(6-phenylquinazolin-4-yl)piperazin-1-yl]propan-1-one?
2-amino-3-(4-chlorophenyl)-1-[4-(6-phenylquinazolin-4-yl)piperazin-1-yl]propan-1-one has a molecular weight of 471.99 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-chlorophenyl)-1-[4-(6-phenylquinazolin-4-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 67538941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).