2-amino-8-bromo-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide

C19H14BrN5O — CID 122444992

IUPAC2-amino-8-bromo-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
SMILESNc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(Br)c2n1
InChIInChI=1S/C19H14BrN5O/c20-14-8-2-7-13-16(14)24-19(21)25-17(13)18(26)23-10-12-5-1-4-11-6-3-9-22-15(11)12/h1-9H,10H2,(H,23,26)(H2,21,24,25)
InChIKeyZGGUPIXOOBTEEK-UHFFFAOYSA-N
MW408.26 g/mol
LogP3.45
Rot. Bonds3

About 2-amino-8-bromo-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide

2-amino-8-bromo-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide (PubChem CID 122444992) has the molecular formula C19H14BrN5O and a molecular weight of 408.26 g/mol. Its IUPAC name is 2-amino-8-bromo-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-8-bromo-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
PubChem CID122444992
Molecular FormulaC19H14BrN5O
Molecular Weight408.26 g/mol
Exact Mass407.04
IUPAC Name2-amino-8-bromo-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
SMILESNc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(Br)c2n1
InChIInChI=1S/C19H14BrN5O/c20-14-8-2-7-13-16(14)24-19(21)25-17(13)18(26)23-10-12-5-1-4-11-6-3-9-22-15(11)12/h1-9H,10H2,(H,23,26)(H2,21,24,25)
InChIKeyZGGUPIXOOBTEEK-UHFFFAOYSA-N
XLogP3.45
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.26
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Aminoquinazoline-4-carboxy-(4-bromophenyl)amide
CID 24749595
4-Pyrimidinecarboxamide,2-amino-6-(3-methylphenyl)-n-(2-pyridinylmethyl)-
CID 44520948
4-Pyrimidinecarboxamide,2-amino-6-(3-methylphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520961
2-amino-8-fluoro-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
CID 127025020
2-amino-7-fluoro-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
CID 127025021
2-(4-fluorophenyl)-N-pyrimidin-2-ylquinoline-4-carboxamide
CID 2326989
N-(2-Pyridin-2-yl-quinazolin-4-yl)-benzamide
CID 13382931
4-(4-Fluorophenyl)-7-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide
CID 89544007
2-amino-8-cyano-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
CID 122444930
2-amino-8-pyrimidin-5-yl-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
CID 122444937
2-amino-8-chloro-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
CID 122444939
2-amino-8-methylsulfanyl-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
CID 122444941

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-bromo-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide?
The IUPAC name of 2-amino-8-bromo-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide (CID 122444992) is 2-amino-8-bromo-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-8-bromo-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide?
The canonical SMILES for 2-amino-8-bromo-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide is Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(Br)c2n1.
What is the InChIKey of 2-amino-8-bromo-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide?
The InChIKey is ZGGUPIXOOBTEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN5O/c20-14-8-2-7-13-16(14)24-19(21)25-17(13)18(26)23-10-12-5-1-4-11-6-3-9-22-15(11)12/h1-9H,10H2,(H,23,26)(H2,21,24,25).
What are the key properties of 2-amino-8-bromo-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide?
2-amino-8-bromo-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide has a molecular weight of 408.26 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-bromo-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide is sourced from PubChem (CID 122444992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).