quinazoline;undecanoic acid

C19H28N2O2 — CID 158516899

IUPACquinazoline;undecanoic acid
SMILESCCCCCCCCCCC(=O)O.c1ccc2ncncc2c1
InChIInChI=1S/C11H22O2.C8H6N2/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-2-4-8-7(3-1)5-9-6-10-8/h2-10H2,1H3,(H,12,13);1-6H
InChIKeyHLSUYIWFWVJULB-UHFFFAOYSA-N
MW316.44 g/mol
LogP5.23
Rot. Bonds9

About quinazoline;undecanoic acid

quinazoline;undecanoic acid (PubChem CID 158516899) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is quinazoline;undecanoic acid.

Molecular Properties

Compound Namequinazoline;undecanoic acid
PubChem CID158516899
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Namequinazoline;undecanoic acid
SMILESCCCCCCCCCCC(=O)O.c1ccc2ncncc2c1
InChIInChI=1S/C11H22O2.C8H6N2/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-2-4-8-7(3-1)5-9-6-10-8/h2-10H2,1H3,(H,12,13);1-6H
InChIKeyHLSUYIWFWVJULB-UHFFFAOYSA-N
XLogP5.23
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.44
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-Quinazolinyl)proline
CID 2792419
6-(2-Phenyl-quinazolin-4-ylamino)-hexanoic acid
CID 2789491
2-(Quinazolin-4-ylamino)hexanoic acid
CID 2792414
2-[4-[4-(2-Anilinoquinazolin-6-yl)phenyl]cyclohexyl]acetic acid
CID 58064536
3-[3-[3-[(4-Cyclopropylpyrimidin-2-yl)amino]-5-methylphenyl]phenyl]propanoic acid
CID 73295142
3-[4-[3-Methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]propanoic acid
CID 73297226
3-[3-[3-Methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]propanoic acid
CID 73297227
3-[4-[3-[(4-Cyclopropylpyrimidin-2-yl)amino]-5-methylphenyl]phenyl]propanoic acid
CID 73297230
3-[3-[3-[[4-(Trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]propanoic acid
CID 118307508
3-[4-[3-[[4-(Trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]propanoic acid
CID 118307536
3-[4-[3-Methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]phenyl]propanoic acid
CID 118307549
3-[3-[3-Methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]phenyl]propanoic acid
CID 118307637

Frequently Asked Questions

What is the IUPAC name of quinazoline;undecanoic acid?
The IUPAC name of quinazoline;undecanoic acid (CID 158516899) is quinazoline;undecanoic acid.
What is the SMILES notation for quinazoline;undecanoic acid?
The canonical SMILES for quinazoline;undecanoic acid is CCCCCCCCCCC(=O)O.c1ccc2ncncc2c1.
What is the InChIKey of quinazoline;undecanoic acid?
The InChIKey is HLSUYIWFWVJULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2.C8H6N2/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-2-4-8-7(3-1)5-9-6-10-8/h2-10H2,1H3,(H,12,13);1-6H.
What are the key properties of quinazoline;undecanoic acid?
quinazoline;undecanoic acid has a molecular weight of 316.44 g/mol, XLogP of 5.23, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinazoline;undecanoic acid is sourced from PubChem (CID 158516899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).