2-[4-[butyl(propyl)amino]-7-methylquinazolin-2-yl]phenol

C22H27N3O — CID 143245151

IUPAC2-[4-[butyl(propyl)amino]-7-methylquinazolin-2-yl]phenol
SMILESCCCCN(CCC)c1nc(-c2ccccc2O)nc2cc(C)ccc12
InChIInChI=1S/C22H27N3O/c1-4-6-14-25(13-5-2)22-17-12-11-16(3)15-19(17)23-21(24-22)18-9-7-8-10-20(18)26/h7-12,15,26H,4-6,13-14H2,1-3H3
InChIKeyAUYNRHWMVFVUBC-UHFFFAOYSA-N
MW349.48 g/mol
LogP5.33
Rot. Bonds7

About 2-[4-[butyl(propyl)amino]-7-methylquinazolin-2-yl]phenol

2-[4-[butyl(propyl)amino]-7-methylquinazolin-2-yl]phenol (PubChem CID 143245151) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-[4-[butyl(propyl)amino]-7-methylquinazolin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[butyl(propyl)amino]-7-methylquinazolin-2-yl]phenol
PubChem CID143245151
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name2-[4-[butyl(propyl)amino]-7-methylquinazolin-2-yl]phenol
SMILESCCCCN(CCC)c1nc(-c2ccccc2O)nc2cc(C)ccc12
InChIInChI=1S/C22H27N3O/c1-4-6-14-25(13-5-2)22-17-12-11-16(3)15-19(17)23-21(24-22)18-9-7-8-10-20(18)26/h7-12,15,26H,4-6,13-14H2,1-3H3
InChIKeyAUYNRHWMVFVUBC-UHFFFAOYSA-N
XLogP5.33
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.48
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[butyl(propyl)amino]-7-methylquinazolin-2-yl]phenol?
The IUPAC name of 2-[4-[butyl(propyl)amino]-7-methylquinazolin-2-yl]phenol (CID 143245151) is 2-[4-[butyl(propyl)amino]-7-methylquinazolin-2-yl]phenol.
What is the SMILES notation for 2-[4-[butyl(propyl)amino]-7-methylquinazolin-2-yl]phenol?
The canonical SMILES for 2-[4-[butyl(propyl)amino]-7-methylquinazolin-2-yl]phenol is CCCCN(CCC)c1nc(-c2ccccc2O)nc2cc(C)ccc12.
What is the InChIKey of 2-[4-[butyl(propyl)amino]-7-methylquinazolin-2-yl]phenol?
The InChIKey is AUYNRHWMVFVUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-4-6-14-25(13-5-2)22-17-12-11-16(3)15-19(17)23-21(24-22)18-9-7-8-10-20(18)26/h7-12,15,26H,4-6,13-14H2,1-3H3.
What are the key properties of 2-[4-[butyl(propyl)amino]-7-methylquinazolin-2-yl]phenol?
2-[4-[butyl(propyl)amino]-7-methylquinazolin-2-yl]phenol has a molecular weight of 349.48 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[butyl(propyl)amino]-7-methylquinazolin-2-yl]phenol is sourced from PubChem (CID 143245151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).