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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Related Compounds

2-cyclopropyl-6-fluoro-7-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
CID 90237473
6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyrrolidin-3-ylquinazoline
CID 90237774
N-butan-2-yl-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-6-amine
CID 166680277
[3-[4-(2-cyclopropyl-6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-4-methoxyphenyl]methanamine
CID 76902422
2-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
CID 134171724
4-[4-(2-bromophenyl)piperazin-1-yl]-2-cyclopropyl-N,N-dimethylquinazolin-6-amine
CID 90248895
2-[4-(2-cyclopropyl-6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-5-methoxybenzonitrile
CID 76901094
2-cyclohexyl-6,7-dimethoxy-4-piperidin-1-ylquinazoline
CID 134111359
4-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-2-cyclopropyl-6,7-dimethoxyquinazoline
CID 76902614
4-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopentyl-6,7-dimethoxyquinazoline
CID 171989287
2-cyclopropyl-6,7-dimethoxy-4-[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]quinazoline
CID 76900716
2-benzyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
CID 53245615

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).