6-bromo-8-methoxy-N-[(Z)-2-methylidene-5-methyliminohex-3-enyl]quinazolin-4-amine

C17H19BrN4O — CID 155728836

IUPAC6-bromo-8-methoxy-N-[(Z)-2-methylidene-5-methyliminohex-3-enyl]quinazolin-4-amine
SMILESC=C(/C=C\C(C)=N\C)CNc1ncnc2c(OC)cc(Br)cc12
InChIInChI=1S/C17H19BrN4O/c1-11(5-6-12(2)19-3)9-20-17-14-7-13(18)8-15(23-4)16(14)21-10-22-17/h5-8,10H,1,9H2,2-4H3,(H,20,21,22)/b6-5-,19-12+
InChIKeyHPSYVTMDSLOXHH-MKXYTQELSA-N
MW375.27 g/mol
LogP4.02
Rot. Bonds6

About 6-bromo-8-methoxy-N-[(Z)-2-methylidene-5-methyliminohex-3-enyl]quinazolin-4-amine

6-bromo-8-methoxy-N-[(Z)-2-methylidene-5-methyliminohex-3-enyl]quinazolin-4-amine (PubChem CID 155728836) has the molecular formula C17H19BrN4O and a molecular weight of 375.27 g/mol. Its IUPAC name is 6-bromo-8-methoxy-N-[(Z)-2-methylidene-5-methyliminohex-3-enyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-8-methoxy-N-[(Z)-2-methylidene-5-methyliminohex-3-enyl]quinazolin-4-amine
PubChem CID155728836
Molecular FormulaC17H19BrN4O
Molecular Weight375.27 g/mol
Exact Mass374.07
IUPAC Name6-bromo-8-methoxy-N-[(Z)-2-methylidene-5-methyliminohex-3-enyl]quinazolin-4-amine
SMILESC=C(/C=C\C(C)=N\C)CNc1ncnc2c(OC)cc(Br)cc12
InChIInChI=1S/C17H19BrN4O/c1-11(5-6-12(2)19-3)9-20-17-14-7-13(18)8-15(23-4)16(14)21-10-22-17/h5-8,10H,1,9H2,2-4H3,(H,20,21,22)/b6-5-,19-12+
InChIKeyHPSYVTMDSLOXHH-MKXYTQELSA-N
XLogP4.02
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[6-(4-fluorophenyl)-4-[[(Z)-2-methylidene-5-methyliminohex-3-enyl]amino]quinazolin-8-yl]oxyacetate
CID 155728542
N-[2-[(Z)-but-2-en-2-yl]oxyprop-2-enyl]-8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-amine;ethane
CID 155728729
6,8-dibromo-N-ethylquinazolin-4-amine
CID 64980971
6-bromo-8-methoxy-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine
CID 155339984
(2E)-3-[[[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]amino]methyl]penta-2,4-dienethial
CID 155364863
5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentanoic acid
CID 19605807
6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(Z)-2-[(Z)-2-methoxyprop-1-enyl]pent-2-enyl]quinazolin-4-amine
CID 155728631
2-[(6-bromoquinazolin-4-yl)amino]acetic acid;hydrochloride
CID 18590558
(E)-but-2-enedioic acid;5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentyl nitrate
CID 166639877
N-benzyl-6,7,8-trimethoxyquinazolin-4-amine
CID 18796773
6-bromo-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 67085882
6-methoxy-4-N-(2-methylprop-2-enyl)pyrimidine-4,5-diamine
CID 114615244

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methoxy-N-[(Z)-2-methylidene-5-methyliminohex-3-enyl]quinazolin-4-amine?
The IUPAC name of 6-bromo-8-methoxy-N-[(Z)-2-methylidene-5-methyliminohex-3-enyl]quinazolin-4-amine (CID 155728836) is 6-bromo-8-methoxy-N-[(Z)-2-methylidene-5-methyliminohex-3-enyl]quinazolin-4-amine.
What is the SMILES notation for 6-bromo-8-methoxy-N-[(Z)-2-methylidene-5-methyliminohex-3-enyl]quinazolin-4-amine?
The canonical SMILES for 6-bromo-8-methoxy-N-[(Z)-2-methylidene-5-methyliminohex-3-enyl]quinazolin-4-amine is C=C(/C=C\C(C)=N\C)CNc1ncnc2c(OC)cc(Br)cc12.
What is the InChIKey of 6-bromo-8-methoxy-N-[(Z)-2-methylidene-5-methyliminohex-3-enyl]quinazolin-4-amine?
The InChIKey is HPSYVTMDSLOXHH-MKXYTQELSA-N. The full InChI is InChI=1S/C17H19BrN4O/c1-11(5-6-12(2)19-3)9-20-17-14-7-13(18)8-15(23-4)16(14)21-10-22-17/h5-8,10H,1,9H2,2-4H3,(H,20,21,22)/b6-5-,19-12+.
What are the key properties of 6-bromo-8-methoxy-N-[(Z)-2-methylidene-5-methyliminohex-3-enyl]quinazolin-4-amine?
6-bromo-8-methoxy-N-[(Z)-2-methylidene-5-methyliminohex-3-enyl]quinazolin-4-amine has a molecular weight of 375.27 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-methoxy-N-[(Z)-2-methylidene-5-methyliminohex-3-enyl]quinazolin-4-amine is sourced from PubChem (CID 155728836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).