N-benzyl-8-bromoquinazolin-2-amine

C15H12BrN3 — CID 165491596

IUPACN-benzyl-8-bromoquinazolin-2-amine
SMILESBrc1cccc2cnc(NCc3ccccc3)nc12
InChIInChI=1S/C15H12BrN3/c16-13-8-4-7-12-10-18-15(19-14(12)13)17-9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,17,18,19)
InChIKeyBVAZNDIDNYMDQV-UHFFFAOYSA-N
MW314.19 g/mol
LogP4.00
Rot. Bonds3

About N-benzyl-8-bromoquinazolin-2-amine

N-benzyl-8-bromoquinazolin-2-amine (PubChem CID 165491596) has the molecular formula C15H12BrN3 and a molecular weight of 314.19 g/mol. Its IUPAC name is N-benzyl-8-bromoquinazolin-2-amine.

Molecular Properties

Compound NameN-benzyl-8-bromoquinazolin-2-amine
PubChem CID165491596
Molecular FormulaC15H12BrN3
Molecular Weight314.19 g/mol
Exact Mass313.02
IUPAC NameN-benzyl-8-bromoquinazolin-2-amine
SMILESBrc1cccc2cnc(NCc3ccccc3)nc12
InChIInChI=1S/C15H12BrN3/c16-13-8-4-7-12-10-18-15(19-14(12)13)17-9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,17,18,19)
InChIKeyBVAZNDIDNYMDQV-UHFFFAOYSA-N
XLogP4.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-8-bromo-N-methylquinazolin-2-amine
CID 165497774
8-bromo-2-phenylquinazoline
CID 72698916
2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
CID 11372871
N-benzyl-3-bromopyridin-2-amine
CID 11708714
4-[(quinazolin-2-ylamino)methyl]phenol
CID 114789330
2-N,4-N,5-tribenzylpyrimidine-2,4-diamine
CID 95560173
N-[(4-aminophenyl)methyl]quinazolin-2-amine
CID 114789553
4-N-benzyl-2-N-(2-bromophenyl)pyrimidine-2,4-diamine
CID 112889532
8-bromoquinazoline-2-carbaldehyde
CID 105498713
N-[(4-propan-2-ylphenyl)methyl]quinazolin-2-amine
CID 114789025
8-bromo-N-[(6-methoxy-3-pyridinyl)methyl]quinolin-2-amine
CID 133370213
(7R)-2-(benzylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 713042

Frequently Asked Questions

What is the IUPAC name of N-benzyl-8-bromoquinazolin-2-amine?
The IUPAC name of N-benzyl-8-bromoquinazolin-2-amine (CID 165491596) is N-benzyl-8-bromoquinazolin-2-amine.
What is the SMILES notation for N-benzyl-8-bromoquinazolin-2-amine?
The canonical SMILES for N-benzyl-8-bromoquinazolin-2-amine is Brc1cccc2cnc(NCc3ccccc3)nc12.
What is the InChIKey of N-benzyl-8-bromoquinazolin-2-amine?
The InChIKey is BVAZNDIDNYMDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3/c16-13-8-4-7-12-10-18-15(19-14(12)13)17-9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,17,18,19).
What are the key properties of N-benzyl-8-bromoquinazolin-2-amine?
N-benzyl-8-bromoquinazolin-2-amine has a molecular weight of 314.19 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-8-bromoquinazolin-2-amine is sourced from PubChem (CID 165491596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).