N-(3-hexoxyphenyl)-N,2-dimethylquinazolin-4-amine

C22H27N3O — CID 134186542

IUPACN-(3-hexoxyphenyl)-N,2-dimethylquinazolin-4-amine
SMILESCCCCCCOc1cccc(N(C)c2nc(C)nc3ccccc23)c1
InChIInChI=1S/C22H27N3O/c1-4-5-6-9-15-26-19-12-10-11-18(16-19)25(3)22-20-13-7-8-14-21(20)23-17(2)24-22/h7-8,10-14,16H,4-6,9,15H2,1-3H3
InChIKeyFJOHHQGFDJXQOW-UHFFFAOYSA-N
MW349.48 g/mol
LogP5.67
Rot. Bonds8

About N-(3-hexoxyphenyl)-N,2-dimethylquinazolin-4-amine

N-(3-hexoxyphenyl)-N,2-dimethylquinazolin-4-amine (PubChem CID 134186542) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-(3-hexoxyphenyl)-N,2-dimethylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-hexoxyphenyl)-N,2-dimethylquinazolin-4-amine
PubChem CID134186542
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-(3-hexoxyphenyl)-N,2-dimethylquinazolin-4-amine
SMILESCCCCCCOc1cccc(N(C)c2nc(C)nc3ccccc23)c1
InChIInChI=1S/C22H27N3O/c1-4-5-6-9-15-26-19-12-10-11-18(16-19)25(3)22-20-13-7-8-14-21(20)23-17(2)24-22/h7-8,10-14,16H,4-6,9,15H2,1-3H3
InChIKeyFJOHHQGFDJXQOW-UHFFFAOYSA-N
XLogP5.67
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.48
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]methyl]benzoic acid
CID 175115810
ethyl 2-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanoate
CID 153310887
pentoxybenzene;undecane
CID 174778179
1,3-dihexadecoxybenzene
CID 12686834
4-N-(3-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine
CID 80795195
3-hexoxyacridine
CID 141299786
1-methyl-3-pentadecoxybenzene
CID 154641822
1-hexadecoxy-3-methylbenzene
CID 154641790
ethene;nonoxybenzene;sulfane
CID 174919596
dodecoxybenzene;ethene;hydrate
CID 174804981
1-decoxyacridine
CID 159660851
N-hydroxy-2-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]acetamide
CID 122550234

Frequently Asked Questions

What is the IUPAC name of N-(3-hexoxyphenyl)-N,2-dimethylquinazolin-4-amine?
The IUPAC name of N-(3-hexoxyphenyl)-N,2-dimethylquinazolin-4-amine (CID 134186542) is N-(3-hexoxyphenyl)-N,2-dimethylquinazolin-4-amine.
What is the SMILES notation for N-(3-hexoxyphenyl)-N,2-dimethylquinazolin-4-amine?
The canonical SMILES for N-(3-hexoxyphenyl)-N,2-dimethylquinazolin-4-amine is CCCCCCOc1cccc(N(C)c2nc(C)nc3ccccc23)c1.
What is the InChIKey of N-(3-hexoxyphenyl)-N,2-dimethylquinazolin-4-amine?
The InChIKey is FJOHHQGFDJXQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-4-5-6-9-15-26-19-12-10-11-18(16-19)25(3)22-20-13-7-8-14-21(20)23-17(2)24-22/h7-8,10-14,16H,4-6,9,15H2,1-3H3.
What are the key properties of N-(3-hexoxyphenyl)-N,2-dimethylquinazolin-4-amine?
N-(3-hexoxyphenyl)-N,2-dimethylquinazolin-4-amine has a molecular weight of 349.48 g/mol, XLogP of 5.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hexoxyphenyl)-N,2-dimethylquinazolin-4-amine is sourced from PubChem (CID 134186542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).