6-bromo-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinazoline

C18H17BrN4O — CID 171705386

IUPAC6-bromo-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinazoline
SMILESBrc1ccc2nc(N3CCC(COc4ccncc4)C3)ncc2c1
InChIInChI=1S/C18H17BrN4O/c19-15-1-2-17-14(9-15)10-21-18(22-17)23-8-5-13(11-23)12-24-16-3-6-20-7-4-16/h1-4,6-7,9-10,13H,5,8,11-12H2
InChIKeyBODVZJQBBAAWDW-UHFFFAOYSA-N
MW385.27 g/mol
LogP3.69
Rot. Bonds4

About 6-bromo-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinazoline

6-bromo-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinazoline (PubChem CID 171705386) has the molecular formula C18H17BrN4O and a molecular weight of 385.27 g/mol. Its IUPAC name is 6-bromo-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinazoline.

Molecular Properties

Compound Name6-bromo-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinazoline
PubChem CID171705386
Molecular FormulaC18H17BrN4O
Molecular Weight385.27 g/mol
Exact Mass384.06
IUPAC Name6-bromo-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinazoline
SMILESBrc1ccc2nc(N3CCC(COc4ccncc4)C3)ncc2c1
InChIInChI=1S/C18H17BrN4O/c19-15-1-2-17-14(9-15)10-21-18(22-17)23-8-5-13(11-23)12-24-16-3-6-20-7-4-16/h1-4,6-7,9-10,13H,5,8,11-12H2
InChIKeyBODVZJQBBAAWDW-UHFFFAOYSA-N
XLogP3.69
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-2-piperidin-1-ylquinazoline
CID 165497693
1-(6-bromoquinazolin-2-yl)-N,N-dimethylpiperidin-4-amine
CID 172905670
6-fluoro-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-1,3-benzothiazole
CID 171705365
6-bromo-2-[3-(triazol-2-yl)azetidin-1-yl]quinazoline
CID 165435723
1-(6-bromoquinazolin-2-yl)-N-tert-butylpyrrolidine-3-carboxamide
CID 155800437
5-methyl-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-1,3-thiazole
CID 171705009
4-methyl-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinoline
CID 171998224
2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 171705085
1-(6-bromoquinazolin-2-yl)-N-methylpiperidine-4-carboxamide
CID 171691467
N,N-dimethyl-6-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine
CID 171705020
6-bromo-2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline
CID 166605676
4,7-dimethoxy-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-1,3-benzothiazole
CID 171704465

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinazoline?
The IUPAC name of 6-bromo-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinazoline (CID 171705386) is 6-bromo-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinazoline.
What is the SMILES notation for 6-bromo-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinazoline?
The canonical SMILES for 6-bromo-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinazoline is Brc1ccc2nc(N3CCC(COc4ccncc4)C3)ncc2c1.
What is the InChIKey of 6-bromo-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinazoline?
The InChIKey is BODVZJQBBAAWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O/c19-15-1-2-17-14(9-15)10-21-18(22-17)23-8-5-13(11-23)12-24-16-3-6-20-7-4-16/h1-4,6-7,9-10,13H,5,8,11-12H2.
What are the key properties of 6-bromo-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinazoline?
6-bromo-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinazoline has a molecular weight of 385.27 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinazoline is sourced from PubChem (CID 171705386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).