6,7-diethoxy-N-(3-quinolin-3-ylphenyl)quinazolin-4-amine

C27H24N4O2 — CID 57445232

IUPAC6,7-diethoxy-N-(3-quinolin-3-ylphenyl)quinazolin-4-amine
SMILESCCOc1cc2ncnc(Nc3cccc(-c4cnc5ccccc5c4)c3)c2cc1OCC
InChIInChI=1S/C27H24N4O2/c1-3-32-25-14-22-24(15-26(25)33-4-2)29-17-30-27(22)31-21-10-7-9-18(13-21)20-12-19-8-5-6-11-23(19)28-16-20/h5-17H,3-4H2,1-2H3,(H,29,30,31)
InChIKeySKKGXUXJOJSLAE-UHFFFAOYSA-N
MW436.52 g/mol
LogP6.39
Rot. Bonds7

About 6,7-diethoxy-N-(3-quinolin-3-ylphenyl)quinazolin-4-amine

6,7-diethoxy-N-(3-quinolin-3-ylphenyl)quinazolin-4-amine (PubChem CID 57445232) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 6,7-diethoxy-N-(3-quinolin-3-ylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6,7-diethoxy-N-(3-quinolin-3-ylphenyl)quinazolin-4-amine
PubChem CID57445232
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC Name6,7-diethoxy-N-(3-quinolin-3-ylphenyl)quinazolin-4-amine
SMILESCCOc1cc2ncnc(Nc3cccc(-c4cnc5ccccc5c4)c3)c2cc1OCC
InChIInChI=1S/C27H24N4O2/c1-3-32-25-14-22-24(15-26(25)33-4-2)29-17-30-27(22)31-21-10-7-9-18(13-21)20-12-19-8-5-6-11-23(19)28-16-20/h5-17H,3-4H2,1-2H3,(H,29,30,31)
InChIKeySKKGXUXJOJSLAE-UHFFFAOYSA-N
XLogP6.39
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-diethoxy-N-[3-(3-methylphenyl)phenyl]quinazolin-4-amine
CID 11014847
6,7-diethoxy-N-[3-(1,3-oxazol-4-yl)phenyl]quinazolin-4-amine
CID 10172616
6,7-diethoxy-N-(3-phenoxyphenyl)quinazolin-4-amine
CID 56984561
6,7-diethoxy-N-(3-ethylphenyl)quinazolin-4-amine;hydrochloride
CID 68570553
6-ethoxy-7-methoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
CID 10216043
6,7-dimethoxy-N-naphthalen-1-ylquinazolin-4-amine;hydrochloride
CID 18770834
N-(3-tert-butylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;ethane
CID 142379522
6,7-diethoxy-2-methoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
CID 10310264
N-(3-ethenylphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 24936078
6-(2-chloroethoxy)-N-(3-ethynylphenyl)-7-propoxyquinazolin-4-amine
CID 154677809
N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-(2-(111C)methoxyethoxy)quinazolin-4-amine
CID 44625620
6,7-dimethoxy-N-[4-[(R)-phenyl(propylamino)methyl]phenyl]quinazolin-4-amine
CID 122628612

Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-N-(3-quinolin-3-ylphenyl)quinazolin-4-amine?
The IUPAC name of 6,7-diethoxy-N-(3-quinolin-3-ylphenyl)quinazolin-4-amine (CID 57445232) is 6,7-diethoxy-N-(3-quinolin-3-ylphenyl)quinazolin-4-amine.
What is the SMILES notation for 6,7-diethoxy-N-(3-quinolin-3-ylphenyl)quinazolin-4-amine?
The canonical SMILES for 6,7-diethoxy-N-(3-quinolin-3-ylphenyl)quinazolin-4-amine is CCOc1cc2ncnc(Nc3cccc(-c4cnc5ccccc5c4)c3)c2cc1OCC.
What is the InChIKey of 6,7-diethoxy-N-(3-quinolin-3-ylphenyl)quinazolin-4-amine?
The InChIKey is SKKGXUXJOJSLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c1-3-32-25-14-22-24(15-26(25)33-4-2)29-17-30-27(22)31-21-10-7-9-18(13-21)20-12-19-8-5-6-11-23(19)28-16-20/h5-17H,3-4H2,1-2H3,(H,29,30,31).
What are the key properties of 6,7-diethoxy-N-(3-quinolin-3-ylphenyl)quinazolin-4-amine?
6,7-diethoxy-N-(3-quinolin-3-ylphenyl)quinazolin-4-amine has a molecular weight of 436.52 g/mol, XLogP of 6.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethoxy-N-(3-quinolin-3-ylphenyl)quinazolin-4-amine is sourced from PubChem (CID 57445232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).