4-(oxolan-2-ylmethylamino)quinazoline-7-carboxylic acid

C14H15N3O3 — CID 16641766

IUPAC4-(oxolan-2-ylmethylamino)quinazoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(NCC3CCCO3)ncnc2c1
InChIInChI=1S/C14H15N3O3/c18-14(19)9-3-4-11-12(6-9)16-8-17-13(11)15-7-10-2-1-5-20-10/h3-4,6,8,10H,1-2,5,7H2,(H,18,19)(H,15,16,17)
InChIKeyKBXIYRQFQUJMCW-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.92
Rot. Bonds4

About 4-(oxolan-2-ylmethylamino)quinazoline-7-carboxylic acid

4-(oxolan-2-ylmethylamino)quinazoline-7-carboxylic acid (PubChem CID 16641766) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethylamino)quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name4-(oxolan-2-ylmethylamino)quinazoline-7-carboxylic acid
PubChem CID16641766
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name4-(oxolan-2-ylmethylamino)quinazoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(NCC3CCCO3)ncnc2c1
InChIInChI=1S/C14H15N3O3/c18-14(19)9-3-4-11-12(6-9)16-8-17-13(11)15-7-10-2-1-5-20-10/h3-4,6,8,10H,1-2,5,7H2,(H,18,19)(H,15,16,17)
InChIKeyKBXIYRQFQUJMCW-UHFFFAOYSA-N
XLogP1.92
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,4-dioxan-2-ylmethylamino)quinazoline-7-carboxylic acid
CID 63263613
5-[4-(oxolan-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylic acid
CID 46916183
6-fluoro-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine
CID 59987540
4-[(2-methyloxolan-3-yl)amino]quinazoline-7-carboxylic acid
CID 82729142
4-(propylamino)quinazoline-7-carboxylic acid
CID 2061674
4-[(5-methyl-1,2-oxazol-3-yl)methylamino]quinazoline-7-carboxylic acid
CID 63263557
3-chloro-4-(oxolan-2-ylmethylamino)benzoic acid
CID 63087283
3-bromo-4-(oxolan-2-ylmethylamino)benzoic acid
CID 82800763
4-methoxy-3-(oxolan-2-ylmethylamino)benzoic acid
CID 82836476
4-(2-hydroxypropylamino)quinazoline-7-carboxylic acid
CID 16641767
N-(oxolan-2-ylmethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2952887
4-(2-acetamidoethylamino)quinazoline-7-carboxylic acid
CID 63263209

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethylamino)quinazoline-7-carboxylic acid?
The IUPAC name of 4-(oxolan-2-ylmethylamino)quinazoline-7-carboxylic acid (CID 16641766) is 4-(oxolan-2-ylmethylamino)quinazoline-7-carboxylic acid.
What is the SMILES notation for 4-(oxolan-2-ylmethylamino)quinazoline-7-carboxylic acid?
The canonical SMILES for 4-(oxolan-2-ylmethylamino)quinazoline-7-carboxylic acid is O=C(O)c1ccc2c(NCC3CCCO3)ncnc2c1.
What is the InChIKey of 4-(oxolan-2-ylmethylamino)quinazoline-7-carboxylic acid?
The InChIKey is KBXIYRQFQUJMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-14(19)9-3-4-11-12(6-9)16-8-17-13(11)15-7-10-2-1-5-20-10/h3-4,6,8,10H,1-2,5,7H2,(H,18,19)(H,15,16,17).
What are the key properties of 4-(oxolan-2-ylmethylamino)quinazoline-7-carboxylic acid?
4-(oxolan-2-ylmethylamino)quinazoline-7-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethylamino)quinazoline-7-carboxylic acid is sourced from PubChem (CID 16641766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).