2-[[(3S,4S)-3-fluorooxan-4-yl]amino]quinazoline-7-carboxylic acid

C14H14FN3O3 — CID 71246766

IUPAC2-[[(3S,4S)-3-fluorooxan-4-yl]amino]quinazoline-7-carboxylic acid
SMILESO=C(O)c1ccc2cnc(N[C@H]3CCOC[C@H]3F)nc2c1
InChIInChI=1S/C14H14FN3O3/c15-10-7-21-4-3-11(10)17-14-16-6-9-2-1-8(13(19)20)5-12(9)18-14/h1-2,5-6,10-11H,3-4,7H2,(H,19,20)(H,16,17,18)/t10-,11+/m1/s1
InChIKeyUAAZNFCKBHKWRQ-MNOVXSKESA-N
MW291.28 g/mol
LogP1.87
Rot. Bonds3

About 2-[[(3S,4S)-3-fluorooxan-4-yl]amino]quinazoline-7-carboxylic acid

2-[[(3S,4S)-3-fluorooxan-4-yl]amino]quinazoline-7-carboxylic acid (PubChem CID 71246766) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is 2-[[(3S,4S)-3-fluorooxan-4-yl]amino]quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name2-[[(3S,4S)-3-fluorooxan-4-yl]amino]quinazoline-7-carboxylic acid
PubChem CID71246766
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name2-[[(3S,4S)-3-fluorooxan-4-yl]amino]quinazoline-7-carboxylic acid
SMILESO=C(O)c1ccc2cnc(N[C@H]3CCOC[C@H]3F)nc2c1
InChIInChI=1S/C14H14FN3O3/c15-10-7-21-4-3-11(10)17-14-16-6-9-2-1-8(13(19)20)5-12(9)18-14/h1-2,5-6,10-11H,3-4,7H2,(H,19,20)(H,16,17,18)/t10-,11+/m1/s1
InChIKeyUAAZNFCKBHKWRQ-MNOVXSKESA-N
XLogP1.87
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3S,4S)-3-fluorooxan-4-yl]amino]quinazoline-7-carboxylic acid?
The IUPAC name of 2-[[(3S,4S)-3-fluorooxan-4-yl]amino]quinazoline-7-carboxylic acid (CID 71246766) is 2-[[(3S,4S)-3-fluorooxan-4-yl]amino]quinazoline-7-carboxylic acid.
What is the SMILES notation for 2-[[(3S,4S)-3-fluorooxan-4-yl]amino]quinazoline-7-carboxylic acid?
The canonical SMILES for 2-[[(3S,4S)-3-fluorooxan-4-yl]amino]quinazoline-7-carboxylic acid is O=C(O)c1ccc2cnc(N[C@H]3CCOC[C@H]3F)nc2c1.
What is the InChIKey of 2-[[(3S,4S)-3-fluorooxan-4-yl]amino]quinazoline-7-carboxylic acid?
The InChIKey is UAAZNFCKBHKWRQ-MNOVXSKESA-N. The full InChI is InChI=1S/C14H14FN3O3/c15-10-7-21-4-3-11(10)17-14-16-6-9-2-1-8(13(19)20)5-12(9)18-14/h1-2,5-6,10-11H,3-4,7H2,(H,19,20)(H,16,17,18)/t10-,11+/m1/s1.
What are the key properties of 2-[[(3S,4S)-3-fluorooxan-4-yl]amino]quinazoline-7-carboxylic acid?
2-[[(3S,4S)-3-fluorooxan-4-yl]amino]quinazoline-7-carboxylic acid has a molecular weight of 291.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S,4S)-3-fluorooxan-4-yl]amino]quinazoline-7-carboxylic acid is sourced from PubChem (CID 71246766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).