4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxylic acid

C16H17N3O2 — CID 83180870

IUPAC4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxylic acid
SMILESCc1nc(N2c3ccccc3CCC2C)ncc1C(=O)O
InChIInChI=1S/C16H17N3O2/c1-10-7-8-12-5-3-4-6-14(12)19(10)16-17-9-13(15(20)21)11(2)18-16/h3-6,9-10H,7-8H2,1-2H3,(H,20,21)
InChIKeyQSVYSXFRNKVDBG-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.96
Rot. Bonds2

About 4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxylic acid

4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxylic acid (PubChem CID 83180870) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxylic acid
PubChem CID83180870
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxylic acid
SMILESCc1nc(N2c3ccccc3CCC2C)ncc1C(=O)O
InChIInChI=1S/C16H17N3O2/c1-10-7-8-12-5-3-4-6-14(12)19(10)16-17-9-13(15(20)21)11(2)18-16/h3-6,9-10H,7-8H2,1-2H3,(H,20,21)
InChIKeyQSVYSXFRNKVDBG-UHFFFAOYSA-N
XLogP2.96
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxylic acid (CID 83180870) is 4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxylic acid is Cc1nc(N2c3ccccc3CCC2C)ncc1C(=O)O.
What is the InChIKey of 4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxylic acid?
The InChIKey is QSVYSXFRNKVDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10-7-8-12-5-3-4-6-14(12)19(10)16-17-9-13(15(20)21)11(2)18-16/h3-6,9-10H,7-8H2,1-2H3,(H,20,21).
What are the key properties of 4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxylic acid?
4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 83180870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).