6-(3,4-dimethoxyphenyl)-4-phenylmethoxyquinazolin-2-amine

C23H21N3O3 — CID 24961708

IUPAC6-(3,4-dimethoxyphenyl)-4-phenylmethoxyquinazolin-2-amine
SMILESCOc1ccc(-c2ccc3nc(N)nc(OCc4ccccc4)c3c2)cc1OC
InChIInChI=1S/C23H21N3O3/c1-27-20-11-9-17(13-21(20)28-2)16-8-10-19-18(12-16)22(26-23(24)25-19)29-14-15-6-4-3-5-7-15/h3-13H,14H2,1-2H3,(H2,24,25,26)
InChIKeyPTPRTYMSPCJKIV-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.48
Rot. Bonds6

About 6-(3,4-dimethoxyphenyl)-4-phenylmethoxyquinazolin-2-amine

6-(3,4-dimethoxyphenyl)-4-phenylmethoxyquinazolin-2-amine (PubChem CID 24961708) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-4-phenylmethoxyquinazolin-2-amine.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-4-phenylmethoxyquinazolin-2-amine
PubChem CID24961708
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name6-(3,4-dimethoxyphenyl)-4-phenylmethoxyquinazolin-2-amine
SMILESCOc1ccc(-c2ccc3nc(N)nc(OCc4ccccc4)c3c2)cc1OC
InChIInChI=1S/C23H21N3O3/c1-27-20-11-9-17(13-21(20)28-2)16-8-10-19-18(12-16)22(26-23(24)25-19)29-14-15-6-4-3-5-7-15/h3-13H,14H2,1-2H3,(H2,24,25,26)
InChIKeyPTPRTYMSPCJKIV-UHFFFAOYSA-N
XLogP4.48
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-bromo-6-(3,4-dimethoxyphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 87656575
3-(3,4-dimethoxyphenyl)-4-phenylmethoxyaniline
CID 169408827
4-N-cyclohexyl-6-(4-ethoxy-3-phenylmethoxyphenyl)quinazoline-2,4-diamine
CID 69015363
6-chloro-4-[4-methoxy-3-(2-phenylethoxy)phenyl]quinazolin-2-amine
CID 15948809
6-(3,4-dimethoxyphenyl)-4-phenylquinazoline
CID 25054917
6-methoxy-2,4-bis(phenylmethoxy)quinazoline
CID 18796746
6-chloro-4-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]quinazolin-2-amine
CID 67198127
[4-(6,7-dimethoxy-4-phenylmethoxyquinazolin-2-yl)phenyl]methylphosphonic acid
CID 23214362
3-methoxy-4-phenylmethoxyaniline
CID 27226
6-(4-fluorophenyl)-4-phenylmethoxyquinazoline
CID 24958786
5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole
CID 863210
3-(3-methoxy-4-phenylmethoxyphenyl)-1-methylbenzo[f]quinoline
CID 3111565

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-4-phenylmethoxyquinazolin-2-amine?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-4-phenylmethoxyquinazolin-2-amine (CID 24961708) is 6-(3,4-dimethoxyphenyl)-4-phenylmethoxyquinazolin-2-amine.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-4-phenylmethoxyquinazolin-2-amine?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-4-phenylmethoxyquinazolin-2-amine is COc1ccc(-c2ccc3nc(N)nc(OCc4ccccc4)c3c2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-4-phenylmethoxyquinazolin-2-amine?
The InChIKey is PTPRTYMSPCJKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-27-20-11-9-17(13-21(20)28-2)16-8-10-19-18(12-16)22(26-23(24)25-19)29-14-15-6-4-3-5-7-15/h3-13H,14H2,1-2H3,(H2,24,25,26).
What are the key properties of 6-(3,4-dimethoxyphenyl)-4-phenylmethoxyquinazolin-2-amine?
6-(3,4-dimethoxyphenyl)-4-phenylmethoxyquinazolin-2-amine has a molecular weight of 387.44 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-4-phenylmethoxyquinazolin-2-amine is sourced from PubChem (CID 24961708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).