2-benzyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazoline

C27H27FN4O2 — CID 171988162

IUPAC2-benzyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazoline
SMILESCOc1cc2nc(Cc3ccccc3)nc(N3CCN(c4ccc(F)cc4)CC3)c2cc1OC
InChIInChI=1S/C27H27FN4O2/c1-33-24-17-22-23(18-25(24)34-2)29-26(16-19-6-4-3-5-7-19)30-27(22)32-14-12-31(13-15-32)21-10-8-20(28)9-11-21/h3-11,17-18H,12-16H2,1-2H3
InChIKeyGBJJFLPYTUFYGW-UHFFFAOYSA-N
MW458.54 g/mol
LogP4.70
Rot. Bonds6

About 2-benzyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazoline

2-benzyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazoline (PubChem CID 171988162) has the molecular formula C27H27FN4O2 and a molecular weight of 458.54 g/mol. Its IUPAC name is 2-benzyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazoline.

Molecular Properties

Compound Name2-benzyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazoline
PubChem CID171988162
Molecular FormulaC27H27FN4O2
Molecular Weight458.54 g/mol
Exact Mass458.21
IUPAC Name2-benzyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazoline
SMILESCOc1cc2nc(Cc3ccccc3)nc(N3CCN(c4ccc(F)cc4)CC3)c2cc1OC
InChIInChI=1S/C27H27FN4O2/c1-33-24-17-22-23(18-25(24)34-2)29-26(16-19-6-4-3-5-7-19)30-27(22)32-14-12-31(13-15-32)21-10-8-20(28)9-11-21/h3-11,17-18H,12-16H2,1-2H3
InChIKeyGBJJFLPYTUFYGW-UHFFFAOYSA-N
XLogP4.70
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
CID 53245615
4-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxy-2-(2-phenylethyl)quinazoline
CID 56696133
2-benzyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 91965057
6-ethoxy-7-methoxy-4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylquinazoline
CID 73355398
N-benzyl-1-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)-4-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 59327421
(7R)-2-benzyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 93122836
2-benzyl-6-ethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 91964873
3-[(4-fluorophenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 42776347
4-[4-(3-chlorophenyl)piperazin-1-yl]-6,7-dimethoxy-2-(trifluoromethyl)quinazoline
CID 21003432
4-benzyl-1-[2-(4-bromophenyl)-6,7-dimethoxyquinazolin-4-yl]piperidin-4-ol
CID 68860270
2-[4-(4-fluorophenyl)piperazin-1-yl]-8-methoxy-4-methylquinoline
CID 1365048
4-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylquinazoline
CID 141288937

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazoline?
The IUPAC name of 2-benzyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazoline (CID 171988162) is 2-benzyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazoline.
What is the SMILES notation for 2-benzyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazoline?
The canonical SMILES for 2-benzyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazoline is COc1cc2nc(Cc3ccccc3)nc(N3CCN(c4ccc(F)cc4)CC3)c2cc1OC.
What is the InChIKey of 2-benzyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazoline?
The InChIKey is GBJJFLPYTUFYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O2/c1-33-24-17-22-23(18-25(24)34-2)29-26(16-19-6-4-3-5-7-19)30-27(22)32-14-12-31(13-15-32)21-10-8-20(28)9-11-21/h3-11,17-18H,12-16H2,1-2H3.
What are the key properties of 2-benzyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazoline?
2-benzyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazoline has a molecular weight of 458.54 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazoline is sourced from PubChem (CID 171988162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).