1-(7-fluoro-4-morpholin-4-yl-6-propan-2-ylquinazolin-2-yl)pyrazole-4-carboxylic acid

C19H20FN5O3 — CID 66747741

IUPAC1-(7-fluoro-4-morpholin-4-yl-6-propan-2-ylquinazolin-2-yl)pyrazole-4-carboxylic acid
SMILESCC(C)c1cc2c(N3CCOCC3)nc(-n3cc(C(=O)O)cn3)nc2cc1F
InChIInChI=1S/C19H20FN5O3/c1-11(2)13-7-14-16(8-15(13)20)22-19(25-10-12(9-21-25)18(26)27)23-17(14)24-3-5-28-6-4-24/h7-11H,3-6H2,1-2H3,(H,26,27)
InChIKeyQWPAZNYDGIXEJZ-UHFFFAOYSA-N
MW385.40 g/mol
LogP2.61
Rot. Bonds4

About 1-(7-fluoro-4-morpholin-4-yl-6-propan-2-ylquinazolin-2-yl)pyrazole-4-carboxylic acid

1-(7-fluoro-4-morpholin-4-yl-6-propan-2-ylquinazolin-2-yl)pyrazole-4-carboxylic acid (PubChem CID 66747741) has the molecular formula C19H20FN5O3 and a molecular weight of 385.40 g/mol. Its IUPAC name is 1-(7-fluoro-4-morpholin-4-yl-6-propan-2-ylquinazolin-2-yl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(7-fluoro-4-morpholin-4-yl-6-propan-2-ylquinazolin-2-yl)pyrazole-4-carboxylic acid
PubChem CID66747741
Molecular FormulaC19H20FN5O3
Molecular Weight385.40 g/mol
Exact Mass385.16
IUPAC Name1-(7-fluoro-4-morpholin-4-yl-6-propan-2-ylquinazolin-2-yl)pyrazole-4-carboxylic acid
SMILESCC(C)c1cc2c(N3CCOCC3)nc(-n3cc(C(=O)O)cn3)nc2cc1F
InChIInChI=1S/C19H20FN5O3/c1-11(2)13-7-14-16(8-15(13)20)22-19(25-10-12(9-21-25)18(26)27)23-17(14)24-3-5-28-6-4-24/h7-11H,3-6H2,1-2H3,(H,26,27)
InChIKeyQWPAZNYDGIXEJZ-UHFFFAOYSA-N
XLogP2.61
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-4-morpholin-4-yl-6-propan-2-ylquinazolin-2-yl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(7-fluoro-4-morpholin-4-yl-6-propan-2-ylquinazolin-2-yl)pyrazole-4-carboxylic acid (CID 66747741) is 1-(7-fluoro-4-morpholin-4-yl-6-propan-2-ylquinazolin-2-yl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(7-fluoro-4-morpholin-4-yl-6-propan-2-ylquinazolin-2-yl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(7-fluoro-4-morpholin-4-yl-6-propan-2-ylquinazolin-2-yl)pyrazole-4-carboxylic acid is CC(C)c1cc2c(N3CCOCC3)nc(-n3cc(C(=O)O)cn3)nc2cc1F.
What is the InChIKey of 1-(7-fluoro-4-morpholin-4-yl-6-propan-2-ylquinazolin-2-yl)pyrazole-4-carboxylic acid?
The InChIKey is QWPAZNYDGIXEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O3/c1-11(2)13-7-14-16(8-15(13)20)22-19(25-10-12(9-21-25)18(26)27)23-17(14)24-3-5-28-6-4-24/h7-11H,3-6H2,1-2H3,(H,26,27).
What are the key properties of 1-(7-fluoro-4-morpholin-4-yl-6-propan-2-ylquinazolin-2-yl)pyrazole-4-carboxylic acid?
1-(7-fluoro-4-morpholin-4-yl-6-propan-2-ylquinazolin-2-yl)pyrazole-4-carboxylic acid has a molecular weight of 385.40 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-4-morpholin-4-yl-6-propan-2-ylquinazolin-2-yl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 66747741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).