6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylquinazoline

C23H25BrN4O — CID 90236943

IUPAC6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylquinazoline
SMILESCOc1ccccc1N1CCN(c2nc(C3CC3)nc3cc(C)c(Br)cc23)CC1
InChIInChI=1S/C23H25BrN4O/c1-15-13-19-17(14-18(15)24)23(26-22(25-19)16-7-8-16)28-11-9-27(10-12-28)20-5-3-4-6-21(20)29-2/h3-6,13-14,16H,7-12H2,1-2H3
InChIKeyPPRMJORADRNNMS-UHFFFAOYSA-N
MW453.38 g/mol
LogP4.91
Rot. Bonds4

About 6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylquinazoline

6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylquinazoline (PubChem CID 90236943) has the molecular formula C23H25BrN4O and a molecular weight of 453.38 g/mol. Its IUPAC name is 6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylquinazoline.

Molecular Properties

Compound Name6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylquinazoline
PubChem CID90236943
Molecular FormulaC23H25BrN4O
Molecular Weight453.38 g/mol
Exact Mass452.12
IUPAC Name6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylquinazoline
SMILESCOc1ccccc1N1CCN(c2nc(C3CC3)nc3cc(C)c(Br)cc23)CC1
InChIInChI=1S/C23H25BrN4O/c1-15-13-19-17(14-18(15)24)23(26-22(25-19)16-7-8-16)28-11-9-27(10-12-28)20-5-3-4-6-21(20)29-2/h3-6,13-14,16H,7-12H2,1-2H3
InChIKeyPPRMJORADRNNMS-UHFFFAOYSA-N
XLogP4.91
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.38
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylquinazoline?
The IUPAC name of 6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylquinazoline (CID 90236943) is 6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylquinazoline.
What is the SMILES notation for 6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylquinazoline?
The canonical SMILES for 6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylquinazoline is COc1ccccc1N1CCN(c2nc(C3CC3)nc3cc(C)c(Br)cc23)CC1.
What is the InChIKey of 6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylquinazoline?
The InChIKey is PPRMJORADRNNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN4O/c1-15-13-19-17(14-18(15)24)23(26-22(25-19)16-7-8-16)28-11-9-27(10-12-28)20-5-3-4-6-21(20)29-2/h3-6,13-14,16H,7-12H2,1-2H3.
What are the key properties of 6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylquinazoline?
6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylquinazoline has a molecular weight of 453.38 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylquinazoline is sourced from PubChem (CID 90236943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).