4-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]quinazoline-7-carboxylic acid

C16H17N5O3 — CID 166349095

IUPAC4-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]quinazoline-7-carboxylic acid
SMILESCC(C)Oc1nn(C)cc1Nc1ncnc2cc(C(=O)O)ccc12
InChIInChI=1S/C16H17N5O3/c1-9(2)24-15-13(7-21(3)20-15)19-14-11-5-4-10(16(22)23)6-12(11)17-8-18-14/h4-9H,1-3H3,(H,22,23)(H,17,18,19)
InChIKeyDMYCVRJPTQOPDW-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.59
Rot. Bonds5

About 4-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]quinazoline-7-carboxylic acid

4-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]quinazoline-7-carboxylic acid (PubChem CID 166349095) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is 4-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name4-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]quinazoline-7-carboxylic acid
PubChem CID166349095
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name4-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]quinazoline-7-carboxylic acid
SMILESCC(C)Oc1nn(C)cc1Nc1ncnc2cc(C(=O)O)ccc12
InChIInChI=1S/C16H17N5O3/c1-9(2)24-15-13(7-21(3)20-15)19-14-11-5-4-10(16(22)23)6-12(11)17-8-18-14/h4-9H,1-3H3,(H,22,23)(H,17,18,19)
InChIKeyDMYCVRJPTQOPDW-UHFFFAOYSA-N
XLogP2.59
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]quinazoline-7-carboxylic acid?
The IUPAC name of 4-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]quinazoline-7-carboxylic acid (CID 166349095) is 4-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]quinazoline-7-carboxylic acid.
What is the SMILES notation for 4-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]quinazoline-7-carboxylic acid?
The canonical SMILES for 4-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]quinazoline-7-carboxylic acid is CC(C)Oc1nn(C)cc1Nc1ncnc2cc(C(=O)O)ccc12.
What is the InChIKey of 4-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]quinazoline-7-carboxylic acid?
The InChIKey is DMYCVRJPTQOPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-9(2)24-15-13(7-21(3)20-15)19-14-11-5-4-10(16(22)23)6-12(11)17-8-18-14/h4-9H,1-3H3,(H,22,23)(H,17,18,19).
What are the key properties of 4-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]quinazoline-7-carboxylic acid?
4-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]quinazoline-7-carboxylic acid has a molecular weight of 327.34 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]quinazoline-7-carboxylic acid is sourced from PubChem (CID 166349095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).