4-[1-methoxypropan-2-yl(methyl)amino]quinazoline-2-carboxylic acid

C14H17N3O3 — CID 63868824

IUPAC4-[1-methoxypropan-2-yl(methyl)amino]quinazoline-2-carboxylic acid
SMILESCOCC(C)N(C)c1nc(C(=O)O)nc2ccccc12
InChIInChI=1S/C14H17N3O3/c1-9(8-20-3)17(2)13-10-6-4-5-7-11(10)15-12(16-13)14(18)19/h4-7,9H,8H2,1-3H3,(H,18,19)
InChIKeyBXAAVQFOKKRSCY-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.80
Rot. Bonds5

About 4-[1-methoxypropan-2-yl(methyl)amino]quinazoline-2-carboxylic acid

4-[1-methoxypropan-2-yl(methyl)amino]quinazoline-2-carboxylic acid (PubChem CID 63868824) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-[1-methoxypropan-2-yl(methyl)amino]quinazoline-2-carboxylic acid.

Molecular Properties

Compound Name4-[1-methoxypropan-2-yl(methyl)amino]quinazoline-2-carboxylic acid
PubChem CID63868824
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-[1-methoxypropan-2-yl(methyl)amino]quinazoline-2-carboxylic acid
SMILESCOCC(C)N(C)c1nc(C(=O)O)nc2ccccc12
InChIInChI=1S/C14H17N3O3/c1-9(8-20-3)17(2)13-10-6-4-5-7-11(10)15-12(16-13)14(18)19/h4-7,9H,8H2,1-3H3,(H,18,19)
InChIKeyBXAAVQFOKKRSCY-UHFFFAOYSA-N
XLogP1.80
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-methoxyethyl(methyl)amino]quinazoline-2-carboxylic acid
CID 62406415
4-[2-(2-methoxyethoxy)ethoxy]quinazoline-2-carboxylic acid
CID 104560492
2-[1-methoxypropan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61451416
4-ethoxyquinazoline-2-carboxylic acid
CID 63869088
4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylic acid
CID 62406915
4-[bis(2-hydroxyethyl)amino]quinazoline-2-carboxylic acid
CID 63867719
4-[methyl(oxan-4-yl)amino]quinazoline-2-carboxylic acid
CID 63867257
2-[1-methoxypropan-2-yl(methyl)amino]quinoline-3-carbaldehyde
CID 61451313
3-chloro-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-4-carboxylic acid
CID 107062369
4-methylquinazoline-2-carboxylic acid
CID 84770673
4-(2-butoxyethoxy)quinazoline-2-carboxylic acid
CID 63867559
4-(2,2-dimethylhydrazinyl)quinazoline-2-carboxylic acid
CID 83016198

Frequently Asked Questions

What is the IUPAC name of 4-[1-methoxypropan-2-yl(methyl)amino]quinazoline-2-carboxylic acid?
The IUPAC name of 4-[1-methoxypropan-2-yl(methyl)amino]quinazoline-2-carboxylic acid (CID 63868824) is 4-[1-methoxypropan-2-yl(methyl)amino]quinazoline-2-carboxylic acid.
What is the SMILES notation for 4-[1-methoxypropan-2-yl(methyl)amino]quinazoline-2-carboxylic acid?
The canonical SMILES for 4-[1-methoxypropan-2-yl(methyl)amino]quinazoline-2-carboxylic acid is COCC(C)N(C)c1nc(C(=O)O)nc2ccccc12.
What is the InChIKey of 4-[1-methoxypropan-2-yl(methyl)amino]quinazoline-2-carboxylic acid?
The InChIKey is BXAAVQFOKKRSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9(8-20-3)17(2)13-10-6-4-5-7-11(10)15-12(16-13)14(18)19/h4-7,9H,8H2,1-3H3,(H,18,19).
What are the key properties of 4-[1-methoxypropan-2-yl(methyl)amino]quinazoline-2-carboxylic acid?
4-[1-methoxypropan-2-yl(methyl)amino]quinazoline-2-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methoxypropan-2-yl(methyl)amino]quinazoline-2-carboxylic acid is sourced from PubChem (CID 63868824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).