6-bromo-4-piperidin-1-yl-2-pyridin-3-ylquinazoline

C18H17BrN4 — CID 71274573

IUPAC6-bromo-4-piperidin-1-yl-2-pyridin-3-ylquinazoline
SMILESBrc1ccc2nc(-c3cccnc3)nc(N3CCCCC3)c2c1
InChIInChI=1S/C18H17BrN4/c19-14-6-7-16-15(11-14)18(23-9-2-1-3-10-23)22-17(21-16)13-5-4-8-20-12-13/h4-8,11-12H,1-3,9-10H2
InChIKeyMAUFXGGCJLETFH-UHFFFAOYSA-N
MW369.27 g/mol
LogP4.44
Rot. Bonds2

About 6-bromo-4-piperidin-1-yl-2-pyridin-3-ylquinazoline

6-bromo-4-piperidin-1-yl-2-pyridin-3-ylquinazoline (PubChem CID 71274573) has the molecular formula C18H17BrN4 and a molecular weight of 369.27 g/mol. Its IUPAC name is 6-bromo-4-piperidin-1-yl-2-pyridin-3-ylquinazoline.

Molecular Properties

Compound Name6-bromo-4-piperidin-1-yl-2-pyridin-3-ylquinazoline
PubChem CID71274573
Molecular FormulaC18H17BrN4
Molecular Weight369.27 g/mol
Exact Mass368.06
IUPAC Name6-bromo-4-piperidin-1-yl-2-pyridin-3-ylquinazoline
SMILESBrc1ccc2nc(-c3cccnc3)nc(N3CCCCC3)c2c1
InChIInChI=1S/C18H17BrN4/c19-14-6-7-16-15(11-14)18(23-9-2-1-3-10-23)22-17(21-16)13-5-4-8-20-12-13/h4-8,11-12H,1-3,9-10H2
InChIKeyMAUFXGGCJLETFH-UHFFFAOYSA-N
XLogP4.44
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.27
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-methoxyphenyl)-4-piperidin-1-yl-2-pyridin-3-ylquinazoline
CID 71181032
6-(3-methoxyphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline
CID 141404533
6-(2-methoxy-3,4-dihydropyridin-5-yl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline
CID 144501093
4-(azetidin-1-yl)-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 18287230
4-piperidin-1-yl-2-pyridin-4-ylquinazoline
CID 820815
4-(2-pyridin-3-ylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 133287442
phenyl-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methanone
CID 2480686
2-pyridin-4-yl-4-pyrrolidin-1-ylquinazoline
CID 659763
2-pyridin-3-yl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]quinazoline
CID 2540547
4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 133333971
6-bromo-2-[4-(diethoxyphosphorylmethyl)phenyl]-4-pyrrolidin-1-ylquinazoline
CID 87197512
6-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid
CID 694704

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-piperidin-1-yl-2-pyridin-3-ylquinazoline?
The IUPAC name of 6-bromo-4-piperidin-1-yl-2-pyridin-3-ylquinazoline (CID 71274573) is 6-bromo-4-piperidin-1-yl-2-pyridin-3-ylquinazoline.
What is the SMILES notation for 6-bromo-4-piperidin-1-yl-2-pyridin-3-ylquinazoline?
The canonical SMILES for 6-bromo-4-piperidin-1-yl-2-pyridin-3-ylquinazoline is Brc1ccc2nc(-c3cccnc3)nc(N3CCCCC3)c2c1.
What is the InChIKey of 6-bromo-4-piperidin-1-yl-2-pyridin-3-ylquinazoline?
The InChIKey is MAUFXGGCJLETFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4/c19-14-6-7-16-15(11-14)18(23-9-2-1-3-10-23)22-17(21-16)13-5-4-8-20-12-13/h4-8,11-12H,1-3,9-10H2.
What are the key properties of 6-bromo-4-piperidin-1-yl-2-pyridin-3-ylquinazoline?
6-bromo-4-piperidin-1-yl-2-pyridin-3-ylquinazoline has a molecular weight of 369.27 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-piperidin-1-yl-2-pyridin-3-ylquinazoline is sourced from PubChem (CID 71274573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).