1-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]propan-2-ol

C16H25N3O — CID 133461979

IUPAC1-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]propan-2-ol
SMILESCc1nc2c(c(N3CCCC3CC(C)O)n1)CCCC2
InChIInChI=1S/C16H25N3O/c1-11(20)10-13-6-5-9-19(13)16-14-7-3-4-8-15(14)17-12(2)18-16/h11,13,20H,3-10H2,1-2H3
InChIKeyLNAUZHPPJRWUID-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.40
Rot. Bonds3

About 1-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]propan-2-ol

1-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]propan-2-ol (PubChem CID 133461979) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]propan-2-ol
PubChem CID133461979
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]propan-2-ol
SMILESCc1nc2c(c(N3CCCC3CC(C)O)n1)CCCC2
InChIInChI=1S/C16H25N3O/c1-11(20)10-13-6-5-9-19(13)16-14-7-3-4-8-15(14)17-12(2)18-16/h11,13,20H,3-10H2,1-2H3
InChIKeyLNAUZHPPJRWUID-UHFFFAOYSA-N
XLogP2.40
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]propan-2-ol (CID 133461979) is 1-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]propan-2-ol is Cc1nc2c(c(N3CCCC3CC(C)O)n1)CCCC2.
What is the InChIKey of 1-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]propan-2-ol?
The InChIKey is LNAUZHPPJRWUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11(20)10-13-6-5-9-19(13)16-14-7-3-4-8-15(14)17-12(2)18-16/h11,13,20H,3-10H2,1-2H3.
What are the key properties of 1-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]propan-2-ol?
1-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]propan-2-ol has a molecular weight of 275.40 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 133461979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).