2-[2-(dimethylamino)ethyl]-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

C14H21N3O2 — CID 113291384

IUPAC2-[2-(dimethylamino)ethyl]-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESCc1nc(CCN(C)C)nc2c1CC(C(=O)O)CC2
InChIInChI=1S/C14H21N3O2/c1-9-11-8-10(14(18)19)4-5-12(11)16-13(15-9)6-7-17(2)3/h10H,4-8H2,1-3H3,(H,18,19)
InChIKeyRVNVWWHCYJXQAD-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.08
Rot. Bonds4

About 2-[2-(dimethylamino)ethyl]-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

2-[2-(dimethylamino)ethyl]-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (PubChem CID 113291384) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
PubChem CID113291384
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[2-(dimethylamino)ethyl]-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESCc1nc(CCN(C)C)nc2c1CC(C(=O)O)CC2
InChIInChI=1S/C14H21N3O2/c1-9-11-8-10(14(18)19)4-5-12(11)16-13(15-9)6-7-17(2)3/h10H,4-8H2,1-3H3,(H,18,19)
InChIKeyRVNVWWHCYJXQAD-UHFFFAOYSA-N
XLogP1.08
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (CID 113291384) is 2-[2-(dimethylamino)ethyl]-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is Cc1nc(CCN(C)C)nc2c1CC(C(=O)O)CC2.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The InChIKey is RVNVWWHCYJXQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9-11-8-10(14(18)19)4-5-12(11)16-13(15-9)6-7-17(2)3/h10H,4-8H2,1-3H3,(H,18,19).
What are the key properties of 2-[2-(dimethylamino)ethyl]-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
2-[2-(dimethylamino)ethyl]-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is sourced from PubChem (CID 113291384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).