1-[4-[6-chloro-8-fluoro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one

C21H19ClF2N4O — CID 137348785

IUPAC1-[4-[6-chloro-8-fluoro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2ncnc3c(F)c(-c4ccccc4F)c(Cl)cc23)CC1
InChIInChI=1S/C21H19ClF2N4O/c1-2-17(29)27-7-9-28(10-8-27)21-14-11-15(22)18(13-5-3-4-6-16(13)23)19(24)20(14)25-12-26-21/h3-6,11-12H,2,7-10H2,1H3
InChIKeyYGUHAAHXXMAGAS-UHFFFAOYSA-N
MW416.86 g/mol
LogP4.29
Rot. Bonds3

About 1-[4-[6-chloro-8-fluoro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one

1-[4-[6-chloro-8-fluoro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one (PubChem CID 137348785) has the molecular formula C21H19ClF2N4O and a molecular weight of 416.86 g/mol. Its IUPAC name is 1-[4-[6-chloro-8-fluoro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[6-chloro-8-fluoro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one
PubChem CID137348785
Molecular FormulaC21H19ClF2N4O
Molecular Weight416.86 g/mol
Exact Mass416.12
IUPAC Name1-[4-[6-chloro-8-fluoro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2ncnc3c(F)c(-c4ccccc4F)c(Cl)cc23)CC1
InChIInChI=1S/C21H19ClF2N4O/c1-2-17(29)27-7-9-28(10-8-27)21-14-11-15(22)18(13-5-3-4-6-16(13)23)19(24)20(14)25-12-26-21/h3-6,11-12H,2,7-10H2,1H3
InChIKeyYGUHAAHXXMAGAS-UHFFFAOYSA-N
XLogP4.29
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.86
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[6-chloro-8-fluoro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

AV-412 free base
CID 9806229
4-(2-chlorophenyl)-N-ethyl-N-[(4-methylphenyl)methyl]quinazoline-2-carboxamide
CID 86276126
(R)-2-amino-3-(3-chlorophenyl)-1-(4-(quinazolin-4-yl)piperazin-1-yl)propan-1-one
CID 52946401
3-[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]-N-methyl-N-phenylpropanamide
CID 45379807
(R)-2-amino-3-(4-chlorophenyl)-1-(4-(7-fluoroquinazolin-4-yl)piperazin-1-yl)propan-1-one
CID 52946204
(R)-2-amino-3-(4-chlorophenyl)-1-(4-(5-methylquinazolin-4-yl)piperazin-1-yl)propan-1-one
CID 52947459
6-chloro-4-(2-chlorophenyl)-N,N-dihexylquinazoline-2-carboxamide
CID 57521594
[6-Chloro-4-(2-chlorophenyl)quinazolin-2-yl]-piperidin-1-ylmethanone
CID 57521596
[4-(2-Chlorophenyl)quinazolin-2-yl]-piperidin-1-ylmethanone
CID 57522965
N-benzyl-6-chloro-N-ethyl-4-phenylquinazoline-2-carboxamide
CID 90655953
4-(2-chlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]quinazoline-2-carboxamide
CID 168283523
(R)-2-amino-3-(2-chlorophenyl)-1-(4-(quinazolin-4-yl)piperazin-1-yl)propan-1-one
CID 52947590

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-chloro-8-fluoro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[6-chloro-8-fluoro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one (CID 137348785) is 1-[4-[6-chloro-8-fluoro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[6-chloro-8-fluoro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[6-chloro-8-fluoro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2ncnc3c(F)c(-c4ccccc4F)c(Cl)cc23)CC1.
What is the InChIKey of 1-[4-[6-chloro-8-fluoro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one?
The InChIKey is YGUHAAHXXMAGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF2N4O/c1-2-17(29)27-7-9-28(10-8-27)21-14-11-15(22)18(13-5-3-4-6-16(13)23)19(24)20(14)25-12-26-21/h3-6,11-12H,2,7-10H2,1H3.
What are the key properties of 1-[4-[6-chloro-8-fluoro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one?
1-[4-[6-chloro-8-fluoro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one has a molecular weight of 416.86 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-chloro-8-fluoro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 137348785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).