N-[3-[(4-but-1-en-2-ylphenyl)methoxy]-4-methoxyphenyl]-N,2-dimethylquinazolin-4-amine

C28H29N3O2 — CID 134186549

IUPACN-[3-[(4-but-1-en-2-ylphenyl)methoxy]-4-methoxyphenyl]-N,2-dimethylquinazolin-4-amine
SMILESC=C(CC)c1ccc(COc2cc(N(C)c3nc(C)nc4ccccc34)ccc2OC)cc1
InChIInChI=1S/C28H29N3O2/c1-6-19(2)22-13-11-21(12-14-22)18-33-27-17-23(15-16-26(27)32-5)31(4)28-24-9-7-8-10-25(24)29-20(3)30-28/h7-17H,2,6,18H2,1,3-5H3
InChIKeyBASMIHUGAFCCCI-UHFFFAOYSA-N
MW439.56 g/mol
LogP6.72
Rot. Bonds8

About N-[3-[(4-but-1-en-2-ylphenyl)methoxy]-4-methoxyphenyl]-N,2-dimethylquinazolin-4-amine

N-[3-[(4-but-1-en-2-ylphenyl)methoxy]-4-methoxyphenyl]-N,2-dimethylquinazolin-4-amine (PubChem CID 134186549) has the molecular formula C28H29N3O2 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[3-[(4-but-1-en-2-ylphenyl)methoxy]-4-methoxyphenyl]-N,2-dimethylquinazolin-4-amine.

Molecular Properties

Compound NameN-[3-[(4-but-1-en-2-ylphenyl)methoxy]-4-methoxyphenyl]-N,2-dimethylquinazolin-4-amine
PubChem CID134186549
Molecular FormulaC28H29N3O2
Molecular Weight439.56 g/mol
Exact Mass439.23
IUPAC NameN-[3-[(4-but-1-en-2-ylphenyl)methoxy]-4-methoxyphenyl]-N,2-dimethylquinazolin-4-amine
SMILESC=C(CC)c1ccc(COc2cc(N(C)c3nc(C)nc4ccccc34)ccc2OC)cc1
InChIInChI=1S/C28H29N3O2/c1-6-19(2)22-13-11-21(12-14-22)18-33-27-17-23(15-16-26(27)32-5)31(4)28-24-9-7-8-10-25(24)29-20(3)30-28/h7-17H,2,6,18H2,1,3-5H3
InChIKeyBASMIHUGAFCCCI-UHFFFAOYSA-N
XLogP6.72
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.56
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[3-[(4-but-1-en-2-ylphenyl)methoxy]-4-methoxyphenyl]-N,2-dimethylquinazolin-4-amine with MolForge

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Related Compounds

4-[[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]methyl]benzoic acid
CID 175115810
methyl 2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyrimidine-5-carboxylate
CID 122550270
2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide
CID 164613666
N-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]butanamide
CID 140857190
2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]-3-methylbutanamide
CID 164621719
5-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]-N-nitrosopyrimidine-2-carboxamide
CID 122550144
N,2-dimethyl-N-[4-[(5-methylpyrazin-2-yl)methyl]phenyl]quinazolin-4-amine
CID 134186511
4-methoxy-3-[(4-methylphenyl)methoxy]benzenecarbothioamide
CID 22681441
3-methoxy-4-phenylmethoxybenzenecarbothioamide
CID 7745260
N,2-dimethyl-N-(1-methylbenzotriazol-5-yl)quinazolin-4-amine
CID 59648370
N-(3-hexoxyphenyl)-N,2-dimethylquinazolin-4-amine
CID 134186542
N-methyl-N-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]acetamide
CID 11638343

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-but-1-en-2-ylphenyl)methoxy]-4-methoxyphenyl]-N,2-dimethylquinazolin-4-amine?
The IUPAC name of N-[3-[(4-but-1-en-2-ylphenyl)methoxy]-4-methoxyphenyl]-N,2-dimethylquinazolin-4-amine (CID 134186549) is N-[3-[(4-but-1-en-2-ylphenyl)methoxy]-4-methoxyphenyl]-N,2-dimethylquinazolin-4-amine.
What is the SMILES notation for N-[3-[(4-but-1-en-2-ylphenyl)methoxy]-4-methoxyphenyl]-N,2-dimethylquinazolin-4-amine?
The canonical SMILES for N-[3-[(4-but-1-en-2-ylphenyl)methoxy]-4-methoxyphenyl]-N,2-dimethylquinazolin-4-amine is C=C(CC)c1ccc(COc2cc(N(C)c3nc(C)nc4ccccc34)ccc2OC)cc1.
What is the InChIKey of N-[3-[(4-but-1-en-2-ylphenyl)methoxy]-4-methoxyphenyl]-N,2-dimethylquinazolin-4-amine?
The InChIKey is BASMIHUGAFCCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O2/c1-6-19(2)22-13-11-21(12-14-22)18-33-27-17-23(15-16-26(27)32-5)31(4)28-24-9-7-8-10-25(24)29-20(3)30-28/h7-17H,2,6,18H2,1,3-5H3.
What are the key properties of N-[3-[(4-but-1-en-2-ylphenyl)methoxy]-4-methoxyphenyl]-N,2-dimethylquinazolin-4-amine?
N-[3-[(4-but-1-en-2-ylphenyl)methoxy]-4-methoxyphenyl]-N,2-dimethylquinazolin-4-amine has a molecular weight of 439.56 g/mol, XLogP of 6.72, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-but-1-en-2-ylphenyl)methoxy]-4-methoxyphenyl]-N,2-dimethylquinazolin-4-amine is sourced from PubChem (CID 134186549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).