N-cyclohexyl-6,7-dimethoxy-N-phenylquinazolin-4-amine

C22H25N3O2 — CID 18770836

IUPACN-cyclohexyl-6,7-dimethoxy-N-phenylquinazolin-4-amine
SMILESCOc1cc2ncnc(N(c3ccccc3)C3CCCCC3)c2cc1OC
InChIInChI=1S/C22H25N3O2/c1-26-20-13-18-19(14-21(20)27-2)23-15-24-22(18)25(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3,5-6,9-10,13-15,17H,4,7-8,11-12H2,1-2H3
InChIKeyTYZGGIOYKOGQFX-UHFFFAOYSA-N
MW363.46 g/mol
LogP5.12
Rot. Bonds5

About N-cyclohexyl-6,7-dimethoxy-N-phenylquinazolin-4-amine

N-cyclohexyl-6,7-dimethoxy-N-phenylquinazolin-4-amine (PubChem CID 18770836) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-cyclohexyl-6,7-dimethoxy-N-phenylquinazolin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-6,7-dimethoxy-N-phenylquinazolin-4-amine
PubChem CID18770836
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-cyclohexyl-6,7-dimethoxy-N-phenylquinazolin-4-amine
SMILESCOc1cc2ncnc(N(c3ccccc3)C3CCCCC3)c2cc1OC
InChIInChI=1S/C22H25N3O2/c1-26-20-13-18-19(14-21(20)27-2)23-15-24-22(18)25(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3,5-6,9-10,13-15,17H,4,7-8,11-12H2,1-2H3
InChIKeyTYZGGIOYKOGQFX-UHFFFAOYSA-N
XLogP5.12
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclohexyl-6,7-dimethoxyquinazoline
CID 67650996
3-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]phenol
CID 127034132
N-[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-N-phenylformamide
CID 174565011
N-[3-[3-(dicyclohexylamino)prop-1-ynyl]phenyl]-6,7-dimethoxyquinazolin-4-amine
CID 101397887
N-cyclohexyl-N-[3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]prop-2-ynyl]cyclohexanamine
CID 101397890
6,7-dimethoxy-4-phenylsulfanylquinazoline
CID 141248835
[4-(N-benzamidoanilino)-6-methoxyquinazolin-7-yl] trifluoromethanesulfonate
CID 87538326
1,3-dicyclohexylurea;6,7-dimethoxyquinazolin-4-amine
CID 174731053
6,7-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine
CID 171702605
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazoline
CID 21002947
6,7-dimethoxy-4-methylquinazoline
CID 4319422
4-chloro-7-(3-cyclohexylpropoxy)-6-methoxyquinazoline
CID 10980561

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6,7-dimethoxy-N-phenylquinazolin-4-amine?
The IUPAC name of N-cyclohexyl-6,7-dimethoxy-N-phenylquinazolin-4-amine (CID 18770836) is N-cyclohexyl-6,7-dimethoxy-N-phenylquinazolin-4-amine.
What is the SMILES notation for N-cyclohexyl-6,7-dimethoxy-N-phenylquinazolin-4-amine?
The canonical SMILES for N-cyclohexyl-6,7-dimethoxy-N-phenylquinazolin-4-amine is COc1cc2ncnc(N(c3ccccc3)C3CCCCC3)c2cc1OC.
What is the InChIKey of N-cyclohexyl-6,7-dimethoxy-N-phenylquinazolin-4-amine?
The InChIKey is TYZGGIOYKOGQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-26-20-13-18-19(14-21(20)27-2)23-15-24-22(18)25(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3,5-6,9-10,13-15,17H,4,7-8,11-12H2,1-2H3.
What are the key properties of N-cyclohexyl-6,7-dimethoxy-N-phenylquinazolin-4-amine?
N-cyclohexyl-6,7-dimethoxy-N-phenylquinazolin-4-amine has a molecular weight of 363.46 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6,7-dimethoxy-N-phenylquinazolin-4-amine is sourced from PubChem (CID 18770836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).