2-benzhydryl-6-methyl-4-pyrrolidin-1-ylquinazoline

C26H25N3 — CID 11485785

IUPAC2-benzhydryl-6-methyl-4-pyrrolidin-1-ylquinazoline
SMILESCc1ccc2nc(C(c3ccccc3)c3ccccc3)nc(N3CCCC3)c2c1
InChIInChI=1S/C26H25N3/c1-19-14-15-23-22(18-19)26(29-16-8-9-17-29)28-25(27-23)24(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-7,10-15,18,24H,8-9,16-17H2,1H3
InChIKeyLGVYRIGEYJHTJX-UHFFFAOYSA-N
MW379.51 g/mol
LogP5.72
Rot. Bonds4

About 2-benzhydryl-6-methyl-4-pyrrolidin-1-ylquinazoline

2-benzhydryl-6-methyl-4-pyrrolidin-1-ylquinazoline (PubChem CID 11485785) has the molecular formula C26H25N3 and a molecular weight of 379.51 g/mol. Its IUPAC name is 2-benzhydryl-6-methyl-4-pyrrolidin-1-ylquinazoline.

Molecular Properties

Compound Name2-benzhydryl-6-methyl-4-pyrrolidin-1-ylquinazoline
PubChem CID11485785
Molecular FormulaC26H25N3
Molecular Weight379.51 g/mol
Exact Mass379.20
IUPAC Name2-benzhydryl-6-methyl-4-pyrrolidin-1-ylquinazoline
SMILESCc1ccc2nc(C(c3ccccc3)c3ccccc3)nc(N3CCCC3)c2c1
InChIInChI=1S/C26H25N3/c1-19-14-15-23-22(18-19)26(29-16-8-9-17-29)28-25(27-23)24(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-7,10-15,18,24H,8-9,16-17H2,1H3
InChIKeyLGVYRIGEYJHTJX-UHFFFAOYSA-N
XLogP5.72
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.51
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-6-methyl-4-pyrrolidin-1-ylquinazoline?
The IUPAC name of 2-benzhydryl-6-methyl-4-pyrrolidin-1-ylquinazoline (CID 11485785) is 2-benzhydryl-6-methyl-4-pyrrolidin-1-ylquinazoline.
What is the SMILES notation for 2-benzhydryl-6-methyl-4-pyrrolidin-1-ylquinazoline?
The canonical SMILES for 2-benzhydryl-6-methyl-4-pyrrolidin-1-ylquinazoline is Cc1ccc2nc(C(c3ccccc3)c3ccccc3)nc(N3CCCC3)c2c1.
What is the InChIKey of 2-benzhydryl-6-methyl-4-pyrrolidin-1-ylquinazoline?
The InChIKey is LGVYRIGEYJHTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3/c1-19-14-15-23-22(18-19)26(29-16-8-9-17-29)28-25(27-23)24(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-7,10-15,18,24H,8-9,16-17H2,1H3.
What are the key properties of 2-benzhydryl-6-methyl-4-pyrrolidin-1-ylquinazoline?
2-benzhydryl-6-methyl-4-pyrrolidin-1-ylquinazoline has a molecular weight of 379.51 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-6-methyl-4-pyrrolidin-1-ylquinazoline is sourced from PubChem (CID 11485785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).