2-[[2-(pyridin-4-ylamino)quinazolin-4-yl]amino]propanoic acid

C16H15N5O2 — CID 91964013

IUPAC2-[[2-(pyridin-4-ylamino)quinazolin-4-yl]amino]propanoic acid
SMILESCC(Nc1nc(Nc2ccncc2)nc2ccccc12)C(=O)O
InChIInChI=1S/C16H15N5O2/c1-10(15(22)23)18-14-12-4-2-3-5-13(12)20-16(21-14)19-11-6-8-17-9-7-11/h2-10H,1H3,(H,22,23)(H2,17,18,19,20,21)
InChIKeyQAEVBLKECQCKQL-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.65
Rot. Bonds5

About 2-[[2-(pyridin-4-ylamino)quinazolin-4-yl]amino]propanoic acid

2-[[2-(pyridin-4-ylamino)quinazolin-4-yl]amino]propanoic acid (PubChem CID 91964013) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-[[2-(pyridin-4-ylamino)quinazolin-4-yl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(pyridin-4-ylamino)quinazolin-4-yl]amino]propanoic acid
PubChem CID91964013
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name2-[[2-(pyridin-4-ylamino)quinazolin-4-yl]amino]propanoic acid
SMILESCC(Nc1nc(Nc2ccncc2)nc2ccccc12)C(=O)O
InChIInChI=1S/C16H15N5O2/c1-10(15(22)23)18-14-12-4-2-3-5-13(12)20-16(21-14)19-11-6-8-17-9-7-11/h2-10H,1H3,(H,22,23)(H2,17,18,19,20,21)
InChIKeyQAEVBLKECQCKQL-UHFFFAOYSA-N
XLogP2.65
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(3-chloroanilino)quinazolin-4-yl]amino]propanoic acid
CID 91963906
2-N-phenyl-4-N-propan-2-ylquinazoline-2,4-diamine
CID 91966042
2-[[2-(5-chloro-2-methylanilino)quinazolin-4-yl]amino]propanoic acid
CID 91963997
2-[(2-propan-2-ylquinazolin-4-yl)amino]propanoic acid
CID 21003858
2-[[2-(2,5-dimethoxyanilino)quinazolin-4-yl]amino]propanoic acid
CID 91964007
1-[4-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenyl]ethanone
CID 56729195
2-N-(4-bromophenyl)-4-N-propan-2-ylquinazoline-2,4-diamine
CID 91966058
3-[[4-(propan-2-ylamino)quinazolin-2-yl]amino]benzoic acid
CID 91966067
2-[[2-(ethylamino)quinazolin-4-yl]amino]-N-methylpropanamide
CID 80803173
N-[3-[(4-anilinoquinazolin-2-yl)amino]phenyl]acetamide
CID 71690531
2-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]propanoic acid
CID 21003994
4-N-[(4-methoxyphenyl)methyl]-2-N-pyridin-4-ylquinazoline-2,4-diamine
CID 71690909

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(pyridin-4-ylamino)quinazolin-4-yl]amino]propanoic acid?
The IUPAC name of 2-[[2-(pyridin-4-ylamino)quinazolin-4-yl]amino]propanoic acid (CID 91964013) is 2-[[2-(pyridin-4-ylamino)quinazolin-4-yl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(pyridin-4-ylamino)quinazolin-4-yl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(pyridin-4-ylamino)quinazolin-4-yl]amino]propanoic acid is CC(Nc1nc(Nc2ccncc2)nc2ccccc12)C(=O)O.
What is the InChIKey of 2-[[2-(pyridin-4-ylamino)quinazolin-4-yl]amino]propanoic acid?
The InChIKey is QAEVBLKECQCKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-10(15(22)23)18-14-12-4-2-3-5-13(12)20-16(21-14)19-11-6-8-17-9-7-11/h2-10H,1H3,(H,22,23)(H2,17,18,19,20,21).
What are the key properties of 2-[[2-(pyridin-4-ylamino)quinazolin-4-yl]amino]propanoic acid?
2-[[2-(pyridin-4-ylamino)quinazolin-4-yl]amino]propanoic acid has a molecular weight of 309.33 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(pyridin-4-ylamino)quinazolin-4-yl]amino]propanoic acid is sourced from PubChem (CID 91964013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).