4-[3-[benzyl(propyl)amino]phenyl]-6,7-dimethoxy-N-methylquinazolin-2-amine

C27H30N4O2 — CID 22663143

IUPAC4-[3-[benzyl(propyl)amino]phenyl]-6,7-dimethoxy-N-methylquinazolin-2-amine
SMILESCCCN(Cc1ccccc1)c1cccc(-c2nc(NC)nc3cc(OC)c(OC)cc23)c1
InChIInChI=1S/C27H30N4O2/c1-5-14-31(18-19-10-7-6-8-11-19)21-13-9-12-20(15-21)26-22-16-24(32-3)25(33-4)17-23(22)29-27(28-2)30-26/h6-13,15-17H,5,14,18H2,1-4H3,(H,28,29,30)
InChIKeyRYNXLEJGNFEXST-UHFFFAOYSA-N
MW442.56 g/mol
LogP5.77
Rot. Bonds9

About 4-[3-[benzyl(propyl)amino]phenyl]-6,7-dimethoxy-N-methylquinazolin-2-amine

4-[3-[benzyl(propyl)amino]phenyl]-6,7-dimethoxy-N-methylquinazolin-2-amine (PubChem CID 22663143) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is 4-[3-[benzyl(propyl)amino]phenyl]-6,7-dimethoxy-N-methylquinazolin-2-amine.

Molecular Properties

Compound Name4-[3-[benzyl(propyl)amino]phenyl]-6,7-dimethoxy-N-methylquinazolin-2-amine
PubChem CID22663143
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC Name4-[3-[benzyl(propyl)amino]phenyl]-6,7-dimethoxy-N-methylquinazolin-2-amine
SMILESCCCN(Cc1ccccc1)c1cccc(-c2nc(NC)nc3cc(OC)c(OC)cc23)c1
InChIInChI=1S/C27H30N4O2/c1-5-14-31(18-19-10-7-6-8-11-19)21-13-9-12-20(15-21)26-22-16-24(32-3)25(33-4)17-23(22)29-27(28-2)30-26/h6-13,15-17H,5,14,18H2,1-4H3,(H,28,29,30)
InChIKeyRYNXLEJGNFEXST-UHFFFAOYSA-N
XLogP5.77
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[benzyl(propyl)amino]phenyl]-6,7-dimethoxy-N-methylquinazolin-2-amine?
The IUPAC name of 4-[3-[benzyl(propyl)amino]phenyl]-6,7-dimethoxy-N-methylquinazolin-2-amine (CID 22663143) is 4-[3-[benzyl(propyl)amino]phenyl]-6,7-dimethoxy-N-methylquinazolin-2-amine.
What is the SMILES notation for 4-[3-[benzyl(propyl)amino]phenyl]-6,7-dimethoxy-N-methylquinazolin-2-amine?
The canonical SMILES for 4-[3-[benzyl(propyl)amino]phenyl]-6,7-dimethoxy-N-methylquinazolin-2-amine is CCCN(Cc1ccccc1)c1cccc(-c2nc(NC)nc3cc(OC)c(OC)cc23)c1.
What is the InChIKey of 4-[3-[benzyl(propyl)amino]phenyl]-6,7-dimethoxy-N-methylquinazolin-2-amine?
The InChIKey is RYNXLEJGNFEXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-5-14-31(18-19-10-7-6-8-11-19)21-13-9-12-20(15-21)26-22-16-24(32-3)25(33-4)17-23(22)29-27(28-2)30-26/h6-13,15-17H,5,14,18H2,1-4H3,(H,28,29,30).
What are the key properties of 4-[3-[benzyl(propyl)amino]phenyl]-6,7-dimethoxy-N-methylquinazolin-2-amine?
4-[3-[benzyl(propyl)amino]phenyl]-6,7-dimethoxy-N-methylquinazolin-2-amine has a molecular weight of 442.56 g/mol, XLogP of 5.77, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[benzyl(propyl)amino]phenyl]-6,7-dimethoxy-N-methylquinazolin-2-amine is sourced from PubChem (CID 22663143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).