2-cyclopropyl-6-fluoro-7-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline

C23H25FN4O2 — CID 90237473

IUPAC2-cyclopropyl-6-fluoro-7-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
SMILESCOc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1F
InChIInChI=1S/C23H25FN4O2/c1-29-20-6-4-3-5-19(20)27-9-11-28(12-10-27)23-16-13-17(24)21(30-2)14-18(16)25-22(26-23)15-7-8-15/h3-6,13-15H,7-12H2,1-2H3
InChIKeyACGNRJGRDMUEKJ-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.99
Rot. Bonds5

About 2-cyclopropyl-6-fluoro-7-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline

2-cyclopropyl-6-fluoro-7-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline (PubChem CID 90237473) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-cyclopropyl-6-fluoro-7-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name2-cyclopropyl-6-fluoro-7-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
PubChem CID90237473
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name2-cyclopropyl-6-fluoro-7-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
SMILESCOc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1F
InChIInChI=1S/C23H25FN4O2/c1-29-20-6-4-3-5-19(20)27-9-11-28(12-10-27)23-16-13-17(24)21(30-2)14-18(16)25-22(26-23)15-7-8-15/h3-6,13-15H,7-12H2,1-2H3
InChIKeyACGNRJGRDMUEKJ-UHFFFAOYSA-N
XLogP3.99
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-fluoro-7-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline?
The IUPAC name of 2-cyclopropyl-6-fluoro-7-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline (CID 90237473) is 2-cyclopropyl-6-fluoro-7-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline.
What is the SMILES notation for 2-cyclopropyl-6-fluoro-7-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline?
The canonical SMILES for 2-cyclopropyl-6-fluoro-7-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline is COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1F.
What is the InChIKey of 2-cyclopropyl-6-fluoro-7-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline?
The InChIKey is ACGNRJGRDMUEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-29-20-6-4-3-5-19(20)27-9-11-28(12-10-27)23-16-13-17(24)21(30-2)14-18(16)25-22(26-23)15-7-8-15/h3-6,13-15H,7-12H2,1-2H3.
What are the key properties of 2-cyclopropyl-6-fluoro-7-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline?
2-cyclopropyl-6-fluoro-7-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline has a molecular weight of 408.48 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-fluoro-7-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline is sourced from PubChem (CID 90237473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).