(2S,3R)-N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-methyloxolane-3-carboxamide

C14H14FN3O3 — CID 136731860

IUPAC(2S,3R)-N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-methyloxolane-3-carboxamide
SMILESC[C@@H]1OCC[C@H]1C(=O)Nc1cc2c(=O)[nH]cnc2cc1F
InChIInChI=1S/C14H14FN3O3/c1-7-8(2-3-21-7)14(20)18-12-4-9-11(5-10(12)15)16-6-17-13(9)19/h4-8H,2-3H2,1H3,(H,18,20)(H,16,17,19)/t7-,8+/m0/s1
InChIKeyMPHVQRXZDVCWEI-JGVFFNPUSA-N
MW291.28 g/mol
LogP1.43
Rot. Bonds2

About (2S,3R)-N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-methyloxolane-3-carboxamide

(2S,3R)-N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-methyloxolane-3-carboxamide (PubChem CID 136731860) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is (2S,3R)-N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-methyloxolane-3-carboxamide
PubChem CID136731860
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name(2S,3R)-N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-methyloxolane-3-carboxamide
SMILESC[C@@H]1OCC[C@H]1C(=O)Nc1cc2c(=O)[nH]cnc2cc1F
InChIInChI=1S/C14H14FN3O3/c1-7-8(2-3-21-7)14(20)18-12-4-9-11(5-10(12)15)16-6-17-13(9)19/h4-8H,2-3H2,1H3,(H,18,20)(H,16,17,19)/t7-,8+/m0/s1
InChIKeyMPHVQRXZDVCWEI-JGVFFNPUSA-N
XLogP1.43
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-methyloxolane-3-carboxamide?
The IUPAC name of (2S,3R)-N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-methyloxolane-3-carboxamide (CID 136731860) is (2S,3R)-N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-methyloxolane-3-carboxamide.
What is the SMILES notation for (2S,3R)-N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-methyloxolane-3-carboxamide?
The canonical SMILES for (2S,3R)-N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-methyloxolane-3-carboxamide is C[C@@H]1OCC[C@H]1C(=O)Nc1cc2c(=O)[nH]cnc2cc1F.
What is the InChIKey of (2S,3R)-N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-methyloxolane-3-carboxamide?
The InChIKey is MPHVQRXZDVCWEI-JGVFFNPUSA-N. The full InChI is InChI=1S/C14H14FN3O3/c1-7-8(2-3-21-7)14(20)18-12-4-9-11(5-10(12)15)16-6-17-13(9)19/h4-8H,2-3H2,1H3,(H,18,20)(H,16,17,19)/t7-,8+/m0/s1.
What are the key properties of (2S,3R)-N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-methyloxolane-3-carboxamide?
(2S,3R)-N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-methyloxolane-3-carboxamide has a molecular weight of 291.28 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-methyloxolane-3-carboxamide is sourced from PubChem (CID 136731860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).