7,8-dimethoxy-N-pentan-3-ylquinazolin-4-amine

C15H21N3O2 — CID 155122341

IUPAC7,8-dimethoxy-N-pentan-3-ylquinazolin-4-amine
SMILESCCC(CC)Nc1ncnc2c(OC)c(OC)ccc12
InChIInChI=1S/C15H21N3O2/c1-5-10(6-2)18-15-11-7-8-12(19-3)14(20-4)13(11)16-9-17-15/h7-10H,5-6H2,1-4H3,(H,16,17,18)
InChIKeyUASVJHJKCAJGHA-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.25
Rot. Bonds6

About 7,8-dimethoxy-N-pentan-3-ylquinazolin-4-amine

7,8-dimethoxy-N-pentan-3-ylquinazolin-4-amine (PubChem CID 155122341) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 7,8-dimethoxy-N-pentan-3-ylquinazolin-4-amine.

Molecular Properties

Compound Name7,8-dimethoxy-N-pentan-3-ylquinazolin-4-amine
PubChem CID155122341
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name7,8-dimethoxy-N-pentan-3-ylquinazolin-4-amine
SMILESCCC(CC)Nc1ncnc2c(OC)c(OC)ccc12
InChIInChI=1S/C15H21N3O2/c1-5-10(6-2)18-15-11-7-8-12(19-3)14(20-4)13(11)16-9-17-15/h7-10H,5-6H2,1-4H3,(H,16,17,18)
InChIKeyUASVJHJKCAJGHA-UHFFFAOYSA-N
XLogP3.25
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7,8-dimethoxy-N-(4-propoxyphenyl)quinazolin-4-amine
CID 110434470
N-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxyquinazolin-4-amine
CID 90489034
5-methoxy-N-pentan-3-ylisoquinolin-1-amine
CID 106537189
N-(furan-2-ylmethyl)-7,8-dimethoxyquinazolin-4-amine
CID 110431410
N-[(2-fluorophenyl)methyl]-7,8-dimethoxyquinazolin-4-amine
CID 110431413
N-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxyquinazolin-4-amine
CID 110431423
7,8-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 110434448
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dimethoxyquinazolin-4-amine
CID 110434461
3-[(7,8-dimethoxyquinazolin-4-yl)amino]benzonitrile
CID 110434481
N-[(2R,3S)-2-cyclopropyloxolan-3-yl]-7,8-dimethoxyquinazolin-4-amine
CID 118162572
(2R)-2-[(8-fluoro-7-methoxyquinazolin-4-yl)amino]propanoic acid
CID 122049877
2-[(8-bromoquinazolin-4-yl)amino]butan-1-ol
CID 110431564

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-N-pentan-3-ylquinazolin-4-amine?
The IUPAC name of 7,8-dimethoxy-N-pentan-3-ylquinazolin-4-amine (CID 155122341) is 7,8-dimethoxy-N-pentan-3-ylquinazolin-4-amine.
What is the SMILES notation for 7,8-dimethoxy-N-pentan-3-ylquinazolin-4-amine?
The canonical SMILES for 7,8-dimethoxy-N-pentan-3-ylquinazolin-4-amine is CCC(CC)Nc1ncnc2c(OC)c(OC)ccc12.
What is the InChIKey of 7,8-dimethoxy-N-pentan-3-ylquinazolin-4-amine?
The InChIKey is UASVJHJKCAJGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-5-10(6-2)18-15-11-7-8-12(19-3)14(20-4)13(11)16-9-17-15/h7-10H,5-6H2,1-4H3,(H,16,17,18).
What are the key properties of 7,8-dimethoxy-N-pentan-3-ylquinazolin-4-amine?
7,8-dimethoxy-N-pentan-3-ylquinazolin-4-amine has a molecular weight of 275.35 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-N-pentan-3-ylquinazolin-4-amine is sourced from PubChem (CID 155122341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).