2-[2-(3-bromophenyl)piperidin-4-yl]quinazoline

C19H18BrN3 — CID 172769032

IUPAC2-[2-(3-bromophenyl)piperidin-4-yl]quinazoline
SMILESBrc1cccc(C2CC(c3ncc4ccccc4n3)CCN2)c1
InChIInChI=1S/C19H18BrN3/c20-16-6-3-5-13(10-16)18-11-14(8-9-21-18)19-22-12-15-4-1-2-7-17(15)23-19/h1-7,10,12,14,18,21H,8-9,11H2
InChIKeyMRWOWYVASUOIKP-UHFFFAOYSA-N
MW368.28 g/mol
LogP4.60
Rot. Bonds2

About 2-[2-(3-bromophenyl)piperidin-4-yl]quinazoline

2-[2-(3-bromophenyl)piperidin-4-yl]quinazoline (PubChem CID 172769032) has the molecular formula C19H18BrN3 and a molecular weight of 368.28 g/mol. Its IUPAC name is 2-[2-(3-bromophenyl)piperidin-4-yl]quinazoline.

Molecular Properties

Compound Name2-[2-(3-bromophenyl)piperidin-4-yl]quinazoline
PubChem CID172769032
Molecular FormulaC19H18BrN3
Molecular Weight368.28 g/mol
Exact Mass367.07
IUPAC Name2-[2-(3-bromophenyl)piperidin-4-yl]quinazoline
SMILESBrc1cccc(C2CC(c3ncc4ccccc4n3)CCN2)c1
InChIInChI=1S/C19H18BrN3/c20-16-6-3-5-13(10-16)18-11-14(8-9-21-18)19-22-12-15-4-1-2-7-17(15)23-19/h1-7,10,12,14,18,21H,8-9,11H2
InChIKeyMRWOWYVASUOIKP-UHFFFAOYSA-N
XLogP4.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexylquinazoline
CID 22611708
3-quinazolin-2-ylcyclobutan-1-amine
CID 155173666
3-[(2S)-azetidin-2-yl]quinoline
CID 55278758
4-(3-bromophenyl)piperidine;hydrochloride
CID 46735221
2-(3-bromophenyl)-4-fluoropyrrolidine
CID 84728358
3-(3-bromophenyl)morpholine;hydrochloride
CID 122156777
2-(3-bromophenyl)imidazolidine
CID 57237390
2-(3-bromophenyl)-4-methylazetidine
CID 116822056
3-[(2S)-aziridin-2-yl]quinoline
CID 55263274
(2R)-2-(3-bromophenyl)-1,2,3,4-tetrahydroquinoxaline
CID 53375541
6-bromo-2-(2,2-dimethyloxan-4-yl)quinazoline
CID 170707974
2-(1,2,3,4,4a,5,6,7-octahydroquinazolin-2-yl)quinazoline
CID 155758959

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenyl)piperidin-4-yl]quinazoline?
The IUPAC name of 2-[2-(3-bromophenyl)piperidin-4-yl]quinazoline (CID 172769032) is 2-[2-(3-bromophenyl)piperidin-4-yl]quinazoline.
What is the SMILES notation for 2-[2-(3-bromophenyl)piperidin-4-yl]quinazoline?
The canonical SMILES for 2-[2-(3-bromophenyl)piperidin-4-yl]quinazoline is Brc1cccc(C2CC(c3ncc4ccccc4n3)CCN2)c1.
What is the InChIKey of 2-[2-(3-bromophenyl)piperidin-4-yl]quinazoline?
The InChIKey is MRWOWYVASUOIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3/c20-16-6-3-5-13(10-16)18-11-14(8-9-21-18)19-22-12-15-4-1-2-7-17(15)23-19/h1-7,10,12,14,18,21H,8-9,11H2.
What are the key properties of 2-[2-(3-bromophenyl)piperidin-4-yl]quinazoline?
2-[2-(3-bromophenyl)piperidin-4-yl]quinazoline has a molecular weight of 368.28 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenyl)piperidin-4-yl]quinazoline is sourced from PubChem (CID 172769032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).