6-bromo-N-(1-phenylmethoxybutan-2-yl)quinazolin-4-amine

C19H20BrN3O — CID 20545410

IUPAC6-bromo-N-(1-phenylmethoxybutan-2-yl)quinazolin-4-amine
SMILESCCC(COCc1ccccc1)Nc1ncnc2ccc(Br)cc12
InChIInChI=1S/C19H20BrN3O/c1-2-16(12-24-11-14-6-4-3-5-7-14)23-19-17-10-15(20)8-9-18(17)21-13-22-19/h3-10,13,16H,2,11-12H2,1H3,(H,21,22,23)
InChIKeyYVKRNUZGPPDDBR-UHFFFAOYSA-N
MW386.29 g/mol
LogP4.80
Rot. Bonds7

About 6-bromo-N-(1-phenylmethoxybutan-2-yl)quinazolin-4-amine

6-bromo-N-(1-phenylmethoxybutan-2-yl)quinazolin-4-amine (PubChem CID 20545410) has the molecular formula C19H20BrN3O and a molecular weight of 386.29 g/mol. Its IUPAC name is 6-bromo-N-(1-phenylmethoxybutan-2-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(1-phenylmethoxybutan-2-yl)quinazolin-4-amine
PubChem CID20545410
Molecular FormulaC19H20BrN3O
Molecular Weight386.29 g/mol
Exact Mass385.08
IUPAC Name6-bromo-N-(1-phenylmethoxybutan-2-yl)quinazolin-4-amine
SMILESCCC(COCc1ccccc1)Nc1ncnc2ccc(Br)cc12
InChIInChI=1S/C19H20BrN3O/c1-2-16(12-24-11-14-6-4-3-5-7-14)23-19-17-10-15(20)8-9-18(17)21-13-22-19/h3-10,13,16H,2,11-12H2,1H3,(H,21,22,23)
InChIKeyYVKRNUZGPPDDBR-UHFFFAOYSA-N
XLogP4.80
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.29
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1-phenylmethoxybutan-2-yl)quinazolin-4-amine?
The IUPAC name of 6-bromo-N-(1-phenylmethoxybutan-2-yl)quinazolin-4-amine (CID 20545410) is 6-bromo-N-(1-phenylmethoxybutan-2-yl)quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-(1-phenylmethoxybutan-2-yl)quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-(1-phenylmethoxybutan-2-yl)quinazolin-4-amine is CCC(COCc1ccccc1)Nc1ncnc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-N-(1-phenylmethoxybutan-2-yl)quinazolin-4-amine?
The InChIKey is YVKRNUZGPPDDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O/c1-2-16(12-24-11-14-6-4-3-5-7-14)23-19-17-10-15(20)8-9-18(17)21-13-22-19/h3-10,13,16H,2,11-12H2,1H3,(H,21,22,23).
What are the key properties of 6-bromo-N-(1-phenylmethoxybutan-2-yl)quinazolin-4-amine?
6-bromo-N-(1-phenylmethoxybutan-2-yl)quinazolin-4-amine has a molecular weight of 386.29 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1-phenylmethoxybutan-2-yl)quinazolin-4-amine is sourced from PubChem (CID 20545410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).