N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-6-methylquinazolin-4-amine

C17H14BrN5 — CID 133269867

IUPACN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-6-methylquinazolin-4-amine
SMILESCc1ccc2ncnc(NCc3cn4cc(Br)ccc4n3)c2c1
InChIInChI=1S/C17H14BrN5/c1-11-2-4-15-14(6-11)17(21-10-20-15)19-7-13-9-23-8-12(18)3-5-16(23)22-13/h2-6,8-10H,7H2,1H3,(H,19,20,21)
InChIKeyWWKSPRREQFXCTA-UHFFFAOYSA-N
MW368.24 g/mol
LogP3.96
Rot. Bonds3

About N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-6-methylquinazolin-4-amine

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-6-methylquinazolin-4-amine (PubChem CID 133269867) has the molecular formula C17H14BrN5 and a molecular weight of 368.24 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-6-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-6-methylquinazolin-4-amine
PubChem CID133269867
Molecular FormulaC17H14BrN5
Molecular Weight368.24 g/mol
Exact Mass367.04
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-6-methylquinazolin-4-amine
SMILESCc1ccc2ncnc(NCc3cn4cc(Br)ccc4n3)c2c1
InChIInChI=1S/C17H14BrN5/c1-11-2-4-15-14(6-11)17(21-10-20-15)19-7-13-9-23-8-12(18)3-5-16(23)22-13/h2-6,8-10H,7H2,1H3,(H,19,20,21)
InChIKeyWWKSPRREQFXCTA-UHFFFAOYSA-N
XLogP3.96
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-6-methylquinazolin-4-amine?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-6-methylquinazolin-4-amine (CID 133269867) is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-6-methylquinazolin-4-amine.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-6-methylquinazolin-4-amine?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-6-methylquinazolin-4-amine is Cc1ccc2ncnc(NCc3cn4cc(Br)ccc4n3)c2c1.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-6-methylquinazolin-4-amine?
The InChIKey is WWKSPRREQFXCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN5/c1-11-2-4-15-14(6-11)17(21-10-20-15)19-7-13-9-23-8-12(18)3-5-16(23)22-13/h2-6,8-10H,7H2,1H3,(H,19,20,21).
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-6-methylquinazolin-4-amine?
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-6-methylquinazolin-4-amine has a molecular weight of 368.24 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-6-methylquinazolin-4-amine is sourced from PubChem (CID 133269867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).