6-butoxy-N-(3-methoxyphenyl)-7-methylquinazolin-4-amine

C20H23N3O2 — CID 142857826

IUPAC6-butoxy-N-(3-methoxyphenyl)-7-methylquinazolin-4-amine
SMILESCCCCOc1cc2c(Nc3cccc(OC)c3)ncnc2cc1C
InChIInChI=1S/C20H23N3O2/c1-4-5-9-25-19-12-17-18(10-14(19)2)21-13-22-20(17)23-15-7-6-8-16(11-15)24-3/h6-8,10-13H,4-5,9H2,1-3H3,(H,21,22,23)
InChIKeyRQSACLMBSMSJGS-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.87
Rot. Bonds7

About 6-butoxy-N-(3-methoxyphenyl)-7-methylquinazolin-4-amine

6-butoxy-N-(3-methoxyphenyl)-7-methylquinazolin-4-amine (PubChem CID 142857826) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 6-butoxy-N-(3-methoxyphenyl)-7-methylquinazolin-4-amine.

Molecular Properties

Compound Name6-butoxy-N-(3-methoxyphenyl)-7-methylquinazolin-4-amine
PubChem CID142857826
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name6-butoxy-N-(3-methoxyphenyl)-7-methylquinazolin-4-amine
SMILESCCCCOc1cc2c(Nc3cccc(OC)c3)ncnc2cc1C
InChIInChI=1S/C20H23N3O2/c1-4-5-9-25-19-12-17-18(10-14(19)2)21-13-22-20(17)23-15-7-6-8-16(11-15)24-3/h6-8,10-13H,4-5,9H2,1-3H3,(H,21,22,23)
InChIKeyRQSACLMBSMSJGS-UHFFFAOYSA-N
XLogP4.87
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-N-(3-methoxyphenyl)quinazolin-4-amine
CID 21003078
6-bromo-N-(3-methoxyphenyl)quinazolin-4-amine
CID 709498
6,7-diethoxy-N-(3-phenoxyphenyl)quinazolin-4-amine
CID 56984561
N-(3-chlorophenyl)-7-methoxy-6-methylquinazolin-4-amine
CID 163979167
6-N-(2-chloroethyl)-4-N-(3-methoxyphenyl)quinazoline-4,6-diamine
CID 166972075
N-[3-(3-chlorophenoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine
CID 122628510
N-(3-bromophenyl)-6,7-dimethylquinazolin-4-amine;dihydrate
CID 169427940
(2S)-2-chloro-1-[4-(3-methoxyanilino)quinazolin-6-yl]propan-1-one
CID 169450910
6-N-(4-ethoxyphenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543912
N-(3-tert-butylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;ethane
CID 142379522
N-[3-(2-fluoroethynyl)phenyl]-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
CID 71183994
6-(3-aminopropoxy)-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine
CID 156814297

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-N-(3-methoxyphenyl)-7-methylquinazolin-4-amine?
The IUPAC name of 6-butoxy-N-(3-methoxyphenyl)-7-methylquinazolin-4-amine (CID 142857826) is 6-butoxy-N-(3-methoxyphenyl)-7-methylquinazolin-4-amine.
What is the SMILES notation for 6-butoxy-N-(3-methoxyphenyl)-7-methylquinazolin-4-amine?
The canonical SMILES for 6-butoxy-N-(3-methoxyphenyl)-7-methylquinazolin-4-amine is CCCCOc1cc2c(Nc3cccc(OC)c3)ncnc2cc1C.
What is the InChIKey of 6-butoxy-N-(3-methoxyphenyl)-7-methylquinazolin-4-amine?
The InChIKey is RQSACLMBSMSJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-4-5-9-25-19-12-17-18(10-14(19)2)21-13-22-20(17)23-15-7-6-8-16(11-15)24-3/h6-8,10-13H,4-5,9H2,1-3H3,(H,21,22,23).
What are the key properties of 6-butoxy-N-(3-methoxyphenyl)-7-methylquinazolin-4-amine?
6-butoxy-N-(3-methoxyphenyl)-7-methylquinazolin-4-amine has a molecular weight of 337.42 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-N-(3-methoxyphenyl)-7-methylquinazolin-4-amine is sourced from PubChem (CID 142857826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).