4-[(5-methyl-1,2-oxazol-3-yl)methylamino]quinazoline-7-carboxylic acid

C14H12N4O3 — CID 63263557

IUPAC4-[(5-methyl-1,2-oxazol-3-yl)methylamino]quinazoline-7-carboxylic acid
SMILESCc1cc(CNc2ncnc3cc(C(=O)O)ccc23)no1
InChIInChI=1S/C14H12N4O3/c1-8-4-10(18-21-8)6-15-13-11-3-2-9(14(19)20)5-12(11)16-7-17-13/h2-5,7H,6H2,1H3,(H,19,20)(H,15,16,17)
InChIKeyCVKJZEOLPARCQS-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.24
Rot. Bonds4

About 4-[(5-methyl-1,2-oxazol-3-yl)methylamino]quinazoline-7-carboxylic acid

4-[(5-methyl-1,2-oxazol-3-yl)methylamino]quinazoline-7-carboxylic acid (PubChem CID 63263557) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 4-[(5-methyl-1,2-oxazol-3-yl)methylamino]quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name4-[(5-methyl-1,2-oxazol-3-yl)methylamino]quinazoline-7-carboxylic acid
PubChem CID63263557
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC Name4-[(5-methyl-1,2-oxazol-3-yl)methylamino]quinazoline-7-carboxylic acid
SMILESCc1cc(CNc2ncnc3cc(C(=O)O)ccc23)no1
InChIInChI=1S/C14H12N4O3/c1-8-4-10(18-21-8)6-15-13-11-3-2-9(14(19)20)5-12(11)16-7-17-13/h2-5,7H,6H2,1H3,(H,19,20)(H,15,16,17)
InChIKeyCVKJZEOLPARCQS-UHFFFAOYSA-N
XLogP2.24
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazoline-4,7-diamine
CID 65336736
4-(propylamino)quinazoline-7-carboxylic acid
CID 2061674
4-(butylamino)quinazoline-7-carboxylic acid
CID 2061676
4-(2-hydroxypropylamino)quinazoline-7-carboxylic acid
CID 16641767
4-(oxolan-2-ylmethylamino)quinazoline-7-carboxylic acid
CID 16641766
4-(2-acetamidoethylamino)quinazoline-7-carboxylic acid
CID 63263209
4-[[1-(hydroxymethyl)cyclopropyl]methylamino]quinazoline-7-carboxylic acid
CID 115455108
4-(1,4-dioxan-2-ylmethylamino)quinazoline-7-carboxylic acid
CID 63263613
4-[[(E)-pent-3-enyl]amino]quinazoline-7-carboxylic acid
CID 113465719
4-(4-methoxybutylamino)quinazoline-7-carboxylic acid
CID 63263517
4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]quinazoline-7-carboxylic acid
CID 106400993
3-fluoro-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyridine-4-carboxylic acid
CID 105382172

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,2-oxazol-3-yl)methylamino]quinazoline-7-carboxylic acid?
The IUPAC name of 4-[(5-methyl-1,2-oxazol-3-yl)methylamino]quinazoline-7-carboxylic acid (CID 63263557) is 4-[(5-methyl-1,2-oxazol-3-yl)methylamino]quinazoline-7-carboxylic acid.
What is the SMILES notation for 4-[(5-methyl-1,2-oxazol-3-yl)methylamino]quinazoline-7-carboxylic acid?
The canonical SMILES for 4-[(5-methyl-1,2-oxazol-3-yl)methylamino]quinazoline-7-carboxylic acid is Cc1cc(CNc2ncnc3cc(C(=O)O)ccc23)no1.
What is the InChIKey of 4-[(5-methyl-1,2-oxazol-3-yl)methylamino]quinazoline-7-carboxylic acid?
The InChIKey is CVKJZEOLPARCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c1-8-4-10(18-21-8)6-15-13-11-3-2-9(14(19)20)5-12(11)16-7-17-13/h2-5,7H,6H2,1H3,(H,19,20)(H,15,16,17).
What are the key properties of 4-[(5-methyl-1,2-oxazol-3-yl)methylamino]quinazoline-7-carboxylic acid?
4-[(5-methyl-1,2-oxazol-3-yl)methylamino]quinazoline-7-carboxylic acid has a molecular weight of 284.28 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,2-oxazol-3-yl)methylamino]quinazoline-7-carboxylic acid is sourced from PubChem (CID 63263557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).