3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-phenylbutan-1-ol

C19H25N3O — CID 133472427

IUPAC3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-phenylbutan-1-ol
SMILESCc1nc2c(c(NC(C)CC(O)c3ccccc3)n1)CCCC2
InChIInChI=1S/C19H25N3O/c1-13(12-18(23)15-8-4-3-5-9-15)20-19-16-10-6-7-11-17(16)21-14(2)22-19/h3-5,8-9,13,18,23H,6-7,10-12H2,1-2H3,(H,20,21,22)
InChIKeyNAZGKTDYIXDQDD-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.59
Rot. Bonds5

About 3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-phenylbutan-1-ol

3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-phenylbutan-1-ol (PubChem CID 133472427) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-phenylbutan-1-ol.

Molecular Properties

Compound Name3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-phenylbutan-1-ol
PubChem CID133472427
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-phenylbutan-1-ol
SMILESCc1nc2c(c(NC(C)CC(O)c3ccccc3)n1)CCCC2
InChIInChI=1S/C19H25N3O/c1-13(12-18(23)15-8-4-3-5-9-15)20-19-16-10-6-7-11-17(16)21-14(2)22-19/h3-5,8-9,13,18,23H,6-7,10-12H2,1-2H3,(H,20,21,22)
InChIKeyNAZGKTDYIXDQDD-UHFFFAOYSA-N
XLogP3.59
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-phenylbutan-1-ol?
The IUPAC name of 3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-phenylbutan-1-ol (CID 133472427) is 3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-phenylbutan-1-ol.
What is the SMILES notation for 3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-phenylbutan-1-ol?
The canonical SMILES for 3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-phenylbutan-1-ol is Cc1nc2c(c(NC(C)CC(O)c3ccccc3)n1)CCCC2.
What is the InChIKey of 3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-phenylbutan-1-ol?
The InChIKey is NAZGKTDYIXDQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-13(12-18(23)15-8-4-3-5-9-15)20-19-16-10-6-7-11-17(16)21-14(2)22-19/h3-5,8-9,13,18,23H,6-7,10-12H2,1-2H3,(H,20,21,22).
What are the key properties of 3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-phenylbutan-1-ol?
3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-phenylbutan-1-ol has a molecular weight of 311.43 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-phenylbutan-1-ol is sourced from PubChem (CID 133472427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).