2-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)quinoline-3-carboxamide

C20H20N4O — CID 71689676

IUPAC2-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)quinoline-3-carboxamide
SMILESCc1ncc2c(n1)CCCC2NC(=O)c1cc2ccccc2nc1C
InChIInChI=1S/C20H20N4O/c1-12-15(10-14-6-3-4-7-17(14)22-12)20(25)24-19-9-5-8-18-16(19)11-21-13(2)23-18/h3-4,6-7,10-11,19H,5,8-9H2,1-2H3,(H,24,25)
InChIKeyVXMYRJJWIXLOSB-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.45
Rot. Bonds2

About 2-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)quinoline-3-carboxamide

2-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)quinoline-3-carboxamide (PubChem CID 71689676) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)quinoline-3-carboxamide
PubChem CID71689676
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)quinoline-3-carboxamide
SMILESCc1ncc2c(n1)CCCC2NC(=O)c1cc2ccccc2nc1C
InChIInChI=1S/C20H20N4O/c1-12-15(10-14-6-3-4-7-17(14)22-12)20(25)24-19-9-5-8-18-16(19)11-21-13(2)23-18/h3-4,6-7,10-11,19H,5,8-9H2,1-2H3,(H,24,25)
InChIKeyVXMYRJJWIXLOSB-UHFFFAOYSA-N
XLogP3.45
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)quinoline-3-carboxamide?
The IUPAC name of 2-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)quinoline-3-carboxamide (CID 71689676) is 2-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)quinoline-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)quinoline-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)quinoline-3-carboxamide is Cc1ncc2c(n1)CCCC2NC(=O)c1cc2ccccc2nc1C.
What is the InChIKey of 2-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)quinoline-3-carboxamide?
The InChIKey is VXMYRJJWIXLOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-12-15(10-14-6-3-4-7-17(14)22-12)20(25)24-19-9-5-8-18-16(19)11-21-13(2)23-18/h3-4,6-7,10-11,19H,5,8-9H2,1-2H3,(H,24,25).
What are the key properties of 2-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)quinoline-3-carboxamide?
2-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)quinoline-3-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)quinoline-3-carboxamide is sourced from PubChem (CID 71689676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).