7-methoxy-4-N-(1-phenylethyl)quinazoline-4,6-diamine

C17H18N4O — CID 22269913

IUPAC7-methoxy-4-N-(1-phenylethyl)quinazoline-4,6-diamine
SMILESCOc1cc2ncnc(NC(C)c3ccccc3)c2cc1N
InChIInChI=1S/C17H18N4O/c1-11(12-6-4-3-5-7-12)21-17-13-8-14(18)16(22-2)9-15(13)19-10-20-17/h3-11H,18H2,1-2H3,(H,19,20,21)
InChIKeyIWOQLNXFFBLQRV-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.39
Rot. Bonds4

About 7-methoxy-4-N-(1-phenylethyl)quinazoline-4,6-diamine

7-methoxy-4-N-(1-phenylethyl)quinazoline-4,6-diamine (PubChem CID 22269913) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 7-methoxy-4-N-(1-phenylethyl)quinazoline-4,6-diamine.

Molecular Properties

Compound Name7-methoxy-4-N-(1-phenylethyl)quinazoline-4,6-diamine
PubChem CID22269913
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name7-methoxy-4-N-(1-phenylethyl)quinazoline-4,6-diamine
SMILESCOc1cc2ncnc(NC(C)c3ccccc3)c2cc1N
InChIInChI=1S/C17H18N4O/c1-11(12-6-4-3-5-7-12)21-17-13-8-14(18)16(22-2)9-15(13)19-10-20-17/h3-11H,18H2,1-2H3,(H,19,20,21)
InChIKeyIWOQLNXFFBLQRV-UHFFFAOYSA-N
XLogP3.39
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-iodo-7-methoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine
CID 69232909
7-methoxy-N-(1-phenylethyl)-6-piperidin-4-yloxyquinazolin-4-amine
CID 69197419
6-(azetidin-3-yloxy)-7-methoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine
CID 141221554
4-[7-methoxy-4-(1-phenylethylamino)quinazolin-6-yl]oxycyclohexan-1-one
CID 67348087
4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexan-1-one
CID 58157263
6,7-dimethoxy-N-(2,2,2-trifluoro-1-phenylethyl)quinazolin-4-amine
CID 18788999
methyl 1-[3-[6-amino-4-(1-phenylethylamino)quinazolin-7-yl]oxypropyl]pyrrolidine-2-carboxylate
CID 22269954
4-[1-(4-fluorophenyl)ethylamino]-7-methoxyquinazolin-6-ol
CID 66755493
7-bromo-6-methoxy-N-[(1S)-1-pyridin-3-ylethyl]quinazolin-4-amine
CID 146148083
6,7-dimethoxy-4-[[(1R)-1-[4-(sulfamoylamino)phenyl]ethyl]amino]quinazoline
CID 150898043
3-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]-1,1-dimethylurea
CID 59837969
6-N-(5-chloro-2,4-dimethoxyphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19145756

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-N-(1-phenylethyl)quinazoline-4,6-diamine?
The IUPAC name of 7-methoxy-4-N-(1-phenylethyl)quinazoline-4,6-diamine (CID 22269913) is 7-methoxy-4-N-(1-phenylethyl)quinazoline-4,6-diamine.
What is the SMILES notation for 7-methoxy-4-N-(1-phenylethyl)quinazoline-4,6-diamine?
The canonical SMILES for 7-methoxy-4-N-(1-phenylethyl)quinazoline-4,6-diamine is COc1cc2ncnc(NC(C)c3ccccc3)c2cc1N.
What is the InChIKey of 7-methoxy-4-N-(1-phenylethyl)quinazoline-4,6-diamine?
The InChIKey is IWOQLNXFFBLQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-11(12-6-4-3-5-7-12)21-17-13-8-14(18)16(22-2)9-15(13)19-10-20-17/h3-11H,18H2,1-2H3,(H,19,20,21).
What are the key properties of 7-methoxy-4-N-(1-phenylethyl)quinazoline-4,6-diamine?
7-methoxy-4-N-(1-phenylethyl)quinazoline-4,6-diamine has a molecular weight of 294.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-N-(1-phenylethyl)quinazoline-4,6-diamine is sourced from PubChem (CID 22269913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).