2-cyclohexyl-2-(quinazolin-2-ylamino)acetic acid

C16H19N3O2 — CID 114788534

IUPAC2-cyclohexyl-2-(quinazolin-2-ylamino)acetic acid
SMILESO=C(O)C(Nc1ncc2ccccc2n1)C1CCCCC1
InChIInChI=1S/C16H19N3O2/c20-15(21)14(11-6-2-1-3-7-11)19-16-17-10-12-8-4-5-9-13(12)18-16/h4-5,8-11,14H,1-3,6-7H2,(H,20,21)(H,17,18,19)
InChIKeyCREKQHAPXZBZOJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.08
Rot. Bonds4

About 2-cyclohexyl-2-(quinazolin-2-ylamino)acetic acid

2-cyclohexyl-2-(quinazolin-2-ylamino)acetic acid (PubChem CID 114788534) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-cyclohexyl-2-(quinazolin-2-ylamino)acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-(quinazolin-2-ylamino)acetic acid
PubChem CID114788534
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-cyclohexyl-2-(quinazolin-2-ylamino)acetic acid
SMILESO=C(O)C(Nc1ncc2ccccc2n1)C1CCCCC1
InChIInChI=1S/C16H19N3O2/c20-15(21)14(11-6-2-1-3-7-11)19-16-17-10-12-8-4-5-9-13(12)18-16/h4-5,8-11,14H,1-3,6-7H2,(H,20,21)(H,17,18,19)
InChIKeyCREKQHAPXZBZOJ-UHFFFAOYSA-N
XLogP3.08
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(quinazolin-2-ylamino)acetic acid?
The IUPAC name of 2-cyclohexyl-2-(quinazolin-2-ylamino)acetic acid (CID 114788534) is 2-cyclohexyl-2-(quinazolin-2-ylamino)acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-(quinazolin-2-ylamino)acetic acid?
The canonical SMILES for 2-cyclohexyl-2-(quinazolin-2-ylamino)acetic acid is O=C(O)C(Nc1ncc2ccccc2n1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(quinazolin-2-ylamino)acetic acid?
The InChIKey is CREKQHAPXZBZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-15(21)14(11-6-2-1-3-7-11)19-16-17-10-12-8-4-5-9-13(12)18-16/h4-5,8-11,14H,1-3,6-7H2,(H,20,21)(H,17,18,19).
What are the key properties of 2-cyclohexyl-2-(quinazolin-2-ylamino)acetic acid?
2-cyclohexyl-2-(quinazolin-2-ylamino)acetic acid has a molecular weight of 285.35 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(quinazolin-2-ylamino)acetic acid is sourced from PubChem (CID 114788534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).