7-bromo-6-methoxy-N-[(1S)-1-pyridin-3-ylethyl]quinazolin-4-amine

C16H15BrN4O — CID 146148083

IUPAC7-bromo-6-methoxy-N-[(1S)-1-pyridin-3-ylethyl]quinazolin-4-amine
SMILESCOc1cc2c(N[C@@H](C)c3cccnc3)ncnc2cc1Br
InChIInChI=1S/C16H15BrN4O/c1-10(11-4-3-5-18-8-11)21-16-12-6-15(22-2)13(17)7-14(12)19-9-20-16/h3-10H,1-2H3,(H,19,20,21)/t10-/m0/s1
InChIKeyKCVWEUPFSQPFOT-JTQLQIEISA-N
MW359.23 g/mol
LogP3.97
Rot. Bonds4

About 7-bromo-6-methoxy-N-[(1S)-1-pyridin-3-ylethyl]quinazolin-4-amine

7-bromo-6-methoxy-N-[(1S)-1-pyridin-3-ylethyl]quinazolin-4-amine (PubChem CID 146148083) has the molecular formula C16H15BrN4O and a molecular weight of 359.23 g/mol. Its IUPAC name is 7-bromo-6-methoxy-N-[(1S)-1-pyridin-3-ylethyl]quinazolin-4-amine.

Molecular Properties

Compound Name7-bromo-6-methoxy-N-[(1S)-1-pyridin-3-ylethyl]quinazolin-4-amine
PubChem CID146148083
Molecular FormulaC16H15BrN4O
Molecular Weight359.23 g/mol
Exact Mass358.04
IUPAC Name7-bromo-6-methoxy-N-[(1S)-1-pyridin-3-ylethyl]quinazolin-4-amine
SMILESCOc1cc2c(N[C@@H](C)c3cccnc3)ncnc2cc1Br
InChIInChI=1S/C16H15BrN4O/c1-10(11-4-3-5-18-8-11)21-16-12-6-15(22-2)13(17)7-14(12)19-9-20-16/h3-10H,1-2H3,(H,19,20,21)/t10-/m0/s1
InChIKeyKCVWEUPFSQPFOT-JTQLQIEISA-N
XLogP3.97
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-methoxy-N-[(1S)-1-pyridin-3-ylethyl]quinazolin-4-amine?
The IUPAC name of 7-bromo-6-methoxy-N-[(1S)-1-pyridin-3-ylethyl]quinazolin-4-amine (CID 146148083) is 7-bromo-6-methoxy-N-[(1S)-1-pyridin-3-ylethyl]quinazolin-4-amine.
What is the SMILES notation for 7-bromo-6-methoxy-N-[(1S)-1-pyridin-3-ylethyl]quinazolin-4-amine?
The canonical SMILES for 7-bromo-6-methoxy-N-[(1S)-1-pyridin-3-ylethyl]quinazolin-4-amine is COc1cc2c(N[C@@H](C)c3cccnc3)ncnc2cc1Br.
What is the InChIKey of 7-bromo-6-methoxy-N-[(1S)-1-pyridin-3-ylethyl]quinazolin-4-amine?
The InChIKey is KCVWEUPFSQPFOT-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15BrN4O/c1-10(11-4-3-5-18-8-11)21-16-12-6-15(22-2)13(17)7-14(12)19-9-20-16/h3-10H,1-2H3,(H,19,20,21)/t10-/m0/s1.
What are the key properties of 7-bromo-6-methoxy-N-[(1S)-1-pyridin-3-ylethyl]quinazolin-4-amine?
7-bromo-6-methoxy-N-[(1S)-1-pyridin-3-ylethyl]quinazolin-4-amine has a molecular weight of 359.23 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-methoxy-N-[(1S)-1-pyridin-3-ylethyl]quinazolin-4-amine is sourced from PubChem (CID 146148083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).