4-[methyl(oxolan-2-ylmethyl)amino]quinazoline-2-carboxylic acid

C15H17N3O3 — CID 63868694

IUPAC4-[methyl(oxolan-2-ylmethyl)amino]quinazoline-2-carboxylic acid
SMILESCN(CC1CCCO1)c1nc(C(=O)O)nc2ccccc12
InChIInChI=1S/C15H17N3O3/c1-18(9-10-5-4-8-21-10)14-11-6-2-3-7-12(11)16-13(17-14)15(19)20/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,19,20)
InChIKeyUOTRRYLBHZRXFL-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.94
Rot. Bonds4

About 4-[methyl(oxolan-2-ylmethyl)amino]quinazoline-2-carboxylic acid

4-[methyl(oxolan-2-ylmethyl)amino]quinazoline-2-carboxylic acid (PubChem CID 63868694) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-[methyl(oxolan-2-ylmethyl)amino]quinazoline-2-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(oxolan-2-ylmethyl)amino]quinazoline-2-carboxylic acid
PubChem CID63868694
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name4-[methyl(oxolan-2-ylmethyl)amino]quinazoline-2-carboxylic acid
SMILESCN(CC1CCCO1)c1nc(C(=O)O)nc2ccccc12
InChIInChI=1S/C15H17N3O3/c1-18(9-10-5-4-8-21-10)14-11-6-2-3-7-12(11)16-13(17-14)15(19)20/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,19,20)
InChIKeyUOTRRYLBHZRXFL-UHFFFAOYSA-N
XLogP1.94
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,4-N-dimethyl-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine
CID 80796036
2-[methyl(oxolan-2-ylmethyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61432285
4-[2-(oxolan-2-yl)ethylamino]quinazoline-2-carboxylic acid
CID 62405853
4-[methyl(oxan-4-yl)amino]quinazoline-2-carboxylic acid
CID 63867257
4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylic acid
CID 62406915
2-methyl-6-[methyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 67287490
6-chloro-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 63380171
[2-[methyl(oxolan-2-ylmethyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 131942429
3-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)quinolin-2-amine
CID 107081248
N-methyl-N-(oxan-2-ylmethyl)quinolin-2-amine
CID 133271800
3-[methyl(oxolan-2-ylmethyl)amino]-3-phenylpropanoic acid
CID 63073130
3-(aminomethyl)-N,4,6-trimethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 61430774

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(oxolan-2-ylmethyl)amino]quinazoline-2-carboxylic acid?
The IUPAC name of 4-[methyl(oxolan-2-ylmethyl)amino]quinazoline-2-carboxylic acid (CID 63868694) is 4-[methyl(oxolan-2-ylmethyl)amino]quinazoline-2-carboxylic acid.
What is the SMILES notation for 4-[methyl(oxolan-2-ylmethyl)amino]quinazoline-2-carboxylic acid?
The canonical SMILES for 4-[methyl(oxolan-2-ylmethyl)amino]quinazoline-2-carboxylic acid is CN(CC1CCCO1)c1nc(C(=O)O)nc2ccccc12.
What is the InChIKey of 4-[methyl(oxolan-2-ylmethyl)amino]quinazoline-2-carboxylic acid?
The InChIKey is UOTRRYLBHZRXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-18(9-10-5-4-8-21-10)14-11-6-2-3-7-12(11)16-13(17-14)15(19)20/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,19,20).
What are the key properties of 4-[methyl(oxolan-2-ylmethyl)amino]quinazoline-2-carboxylic acid?
4-[methyl(oxolan-2-ylmethyl)amino]quinazoline-2-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(oxolan-2-ylmethyl)amino]quinazoline-2-carboxylic acid is sourced from PubChem (CID 63868694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).