2-(quinazolin-4-ylamino)pentanoic acid

C13H15N3O2 — CID 3356607

IUPAC2-(quinazolin-4-ylamino)pentanoic acid
SMILESCCCC(Nc1ncnc2ccccc12)C(=O)O
InChIInChI=1S/C13H15N3O2/c1-2-5-11(13(17)18)16-12-9-6-3-4-7-10(9)14-8-15-12/h3-4,6-8,11H,2,5H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyQNGCVTKJHOBMQR-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.30
Rot. Bonds5

About 2-(quinazolin-4-ylamino)pentanoic acid

2-(quinazolin-4-ylamino)pentanoic acid (PubChem CID 3356607) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(quinazolin-4-ylamino)pentanoic acid.

Molecular Properties

Compound Name2-(quinazolin-4-ylamino)pentanoic acid
PubChem CID3356607
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(quinazolin-4-ylamino)pentanoic acid
SMILESCCCC(Nc1ncnc2ccccc12)C(=O)O
InChIInChI=1S/C13H15N3O2/c1-2-5-11(13(17)18)16-12-9-6-3-4-7-10(9)14-8-15-12/h3-4,6-8,11H,2,5H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyQNGCVTKJHOBMQR-UHFFFAOYSA-N
XLogP2.30
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-(quinazolin-4-ylamino)butanoic acid
CID 55075952
3-hydroxy-2-(quinazolin-4-ylamino)propanoic acid
CID 2789318
2-[(2-chloroquinazolin-4-yl)amino]pentanoic acid
CID 22693080
(2R,3S)-3-methyl-2-(quinazolin-4-ylamino)pentanoic acid
CID 725448
2-[[4-(methylamino)quinazolin-2-yl]amino]pentanoic acid
CID 122060479
2-(thieno[2,3-d]pyrimidin-4-ylamino)pentanoic acid
CID 43631382
(2R)-N-[(1-methylpyrazol-4-yl)methyl]-2-(quinazolin-4-ylamino)pentanamide
CID 99992614
2-[(quinazolin-4-ylamino)methyl]butanoic acid
CID 65226835
3-phenyl-2-(quinazolin-4-ylamino)propanoate
CID 3679551
(2R)-4-methyl-2-(quinazolin-4-ylamino)pentanoate
CID 6922206
2-methyl-4-(quinazolin-4-ylamino)butanoic acid
CID 80539709
2-[(4-methylphthalazin-1-yl)amino]pentanoic acid
CID 43631341

Frequently Asked Questions

What is the IUPAC name of 2-(quinazolin-4-ylamino)pentanoic acid?
The IUPAC name of 2-(quinazolin-4-ylamino)pentanoic acid (CID 3356607) is 2-(quinazolin-4-ylamino)pentanoic acid.
What is the SMILES notation for 2-(quinazolin-4-ylamino)pentanoic acid?
The canonical SMILES for 2-(quinazolin-4-ylamino)pentanoic acid is CCCC(Nc1ncnc2ccccc12)C(=O)O.
What is the InChIKey of 2-(quinazolin-4-ylamino)pentanoic acid?
The InChIKey is QNGCVTKJHOBMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-5-11(13(17)18)16-12-9-6-3-4-7-10(9)14-8-15-12/h3-4,6-8,11H,2,5H2,1H3,(H,17,18)(H,14,15,16).
What are the key properties of 2-(quinazolin-4-ylamino)pentanoic acid?
2-(quinazolin-4-ylamino)pentanoic acid has a molecular weight of 245.28 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinazolin-4-ylamino)pentanoic acid is sourced from PubChem (CID 3356607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).