4-(4-imidazol-1-ylquinazolin-6-yl)-N,N-dimethylaniline

C19H17N5 — CID 3234554

IUPAC4-(4-imidazol-1-ylquinazolin-6-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2ccc3ncnc(-n4ccnc4)c3c2)cc1
InChIInChI=1S/C19H17N5/c1-23(2)16-6-3-14(4-7-16)15-5-8-18-17(11-15)19(22-12-21-18)24-10-9-20-13-24/h3-13H,1-2H3
InChIKeyQXXCVQUSQHXPSG-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.55
Rot. Bonds3

About 4-(4-imidazol-1-ylquinazolin-6-yl)-N,N-dimethylaniline

4-(4-imidazol-1-ylquinazolin-6-yl)-N,N-dimethylaniline (PubChem CID 3234554) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-(4-imidazol-1-ylquinazolin-6-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(4-imidazol-1-ylquinazolin-6-yl)-N,N-dimethylaniline
PubChem CID3234554
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name4-(4-imidazol-1-ylquinazolin-6-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2ccc3ncnc(-n4ccnc4)c3c2)cc1
InChIInChI=1S/C19H17N5/c1-23(2)16-6-3-14(4-7-16)15-5-8-18-17(11-15)19(22-12-21-18)24-10-9-20-13-24/h3-13H,1-2H3
InChIKeyQXXCVQUSQHXPSG-UHFFFAOYSA-N
XLogP3.55
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-imidazol-1-ylquinazolin-6-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(4-imidazol-1-ylquinazolin-6-yl)-N,N-dimethylaniline (CID 3234554) is 4-(4-imidazol-1-ylquinazolin-6-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(4-imidazol-1-ylquinazolin-6-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(4-imidazol-1-ylquinazolin-6-yl)-N,N-dimethylaniline is CN(C)c1ccc(-c2ccc3ncnc(-n4ccnc4)c3c2)cc1.
What is the InChIKey of 4-(4-imidazol-1-ylquinazolin-6-yl)-N,N-dimethylaniline?
The InChIKey is QXXCVQUSQHXPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-23(2)16-6-3-14(4-7-16)15-5-8-18-17(11-15)19(22-12-21-18)24-10-9-20-13-24/h3-13H,1-2H3.
What are the key properties of 4-(4-imidazol-1-ylquinazolin-6-yl)-N,N-dimethylaniline?
4-(4-imidazol-1-ylquinazolin-6-yl)-N,N-dimethylaniline has a molecular weight of 315.38 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-imidazol-1-ylquinazolin-6-yl)-N,N-dimethylaniline is sourced from PubChem (CID 3234554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).