N-[(1S)-1-(4-bromophenyl)ethyl]quinazolin-4-amine

C16H14BrN3 — CID 11759248

IUPACN-[(1S)-1-(4-bromophenyl)ethyl]quinazolin-4-amine
SMILESC[C@H](Nc1ncnc2ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrN3/c1-11(12-6-8-13(17)9-7-12)20-16-14-4-2-3-5-15(14)18-10-19-16/h2-11H,1H3,(H,18,19,20)/t11-/m0/s1
InChIKeyMIMPYMPDGSHWJC-NSHDSACASA-N
MW328.21 g/mol
LogP4.57
Rot. Bonds3

About N-[(1S)-1-(4-bromophenyl)ethyl]quinazolin-4-amine

N-[(1S)-1-(4-bromophenyl)ethyl]quinazolin-4-amine (PubChem CID 11759248) has the molecular formula C16H14BrN3 and a molecular weight of 328.21 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)ethyl]quinazolin-4-amine
PubChem CID11759248
Molecular FormulaC16H14BrN3
Molecular Weight328.21 g/mol
Exact Mass327.04
IUPAC NameN-[(1S)-1-(4-bromophenyl)ethyl]quinazolin-4-amine
SMILESC[C@H](Nc1ncnc2ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrN3/c1-11(12-6-8-13(17)9-7-12)20-16-14-4-2-3-5-15(14)18-10-19-16/h2-11H,1H3,(H,18,19,20)/t11-/m0/s1
InChIKeyMIMPYMPDGSHWJC-NSHDSACASA-N
XLogP4.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]quinazolin-4-amine?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]quinazolin-4-amine (CID 11759248) is N-[(1S)-1-(4-bromophenyl)ethyl]quinazolin-4-amine.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)ethyl]quinazolin-4-amine?
The canonical SMILES for N-[(1S)-1-(4-bromophenyl)ethyl]quinazolin-4-amine is C[C@H](Nc1ncnc2ccccc12)c1ccc(Br)cc1.
What is the InChIKey of N-[(1S)-1-(4-bromophenyl)ethyl]quinazolin-4-amine?
The InChIKey is MIMPYMPDGSHWJC-NSHDSACASA-N. The full InChI is InChI=1S/C16H14BrN3/c1-11(12-6-8-13(17)9-7-12)20-16-14-4-2-3-5-15(14)18-10-19-16/h2-11H,1H3,(H,18,19,20)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)ethyl]quinazolin-4-amine?
N-[(1S)-1-(4-bromophenyl)ethyl]quinazolin-4-amine has a molecular weight of 328.21 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-bromophenyl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 11759248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).