4-(benzylamino)-7-methoxyquinazolin-6-ol

C16H15N3O2 — CID 5328037

IUPAC4-(benzylamino)-7-methoxyquinazolin-6-ol
SMILESCOc1cc2ncnc(NCc3ccccc3)c2cc1O
InChIInChI=1S/C16H15N3O2/c1-21-15-8-13-12(7-14(15)20)16(19-10-18-13)17-9-11-5-3-2-4-6-11/h2-8,10,20H,9H2,1H3,(H,17,18,19)
InChIKeyARGNVJPDKVQMDV-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.96
Rot. Bonds4

About 4-(benzylamino)-7-methoxyquinazolin-6-ol

4-(benzylamino)-7-methoxyquinazolin-6-ol (PubChem CID 5328037) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-(benzylamino)-7-methoxyquinazolin-6-ol.

Molecular Properties

Compound Name4-(benzylamino)-7-methoxyquinazolin-6-ol
PubChem CID5328037
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name4-(benzylamino)-7-methoxyquinazolin-6-ol
SMILESCOc1cc2ncnc(NCc3ccccc3)c2cc1O
InChIInChI=1S/C16H15N3O2/c1-21-15-8-13-12(7-14(15)20)16(19-10-18-13)17-9-11-5-3-2-4-6-11/h2-8,10,20H,9H2,1H3,(H,17,18,19)
InChIKeyARGNVJPDKVQMDV-UHFFFAOYSA-N
XLogP2.96
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine
CID 2051
PD-153035
CID 4705
Icotinib
CID 22024915
2-(1-Piperazinyl)-4-amino-6,7-dimethoxyquinazoline
CID 616267
N-(4-bromophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 1474852
Whi-P154
CID 3795
N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine hydrochloride
CID 3035187
CP466722
CID 44551660
2-Chloro-6,7-dimethoxy-4-quinazolinamine
CID 90235

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-7-methoxyquinazolin-6-ol?
The IUPAC name of 4-(benzylamino)-7-methoxyquinazolin-6-ol (CID 5328037) is 4-(benzylamino)-7-methoxyquinazolin-6-ol.
What is the SMILES notation for 4-(benzylamino)-7-methoxyquinazolin-6-ol?
The canonical SMILES for 4-(benzylamino)-7-methoxyquinazolin-6-ol is COc1cc2ncnc(NCc3ccccc3)c2cc1O.
What is the InChIKey of 4-(benzylamino)-7-methoxyquinazolin-6-ol?
The InChIKey is ARGNVJPDKVQMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-21-15-8-13-12(7-14(15)20)16(19-10-18-13)17-9-11-5-3-2-4-6-11/h2-8,10,20H,9H2,1H3,(H,17,18,19).
What are the key properties of 4-(benzylamino)-7-methoxyquinazolin-6-ol?
4-(benzylamino)-7-methoxyquinazolin-6-ol has a molecular weight of 281.32 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-7-methoxyquinazolin-6-ol is sourced from PubChem (CID 5328037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).