2-[[2-(3-acetamidoanilino)quinazolin-4-yl]amino]acetic acid

C18H17N5O3 — CID 91963942

IUPAC2-[[2-(3-acetamidoanilino)quinazolin-4-yl]amino]acetic acid
SMILESCC(=O)Nc1cccc(Nc2nc(NCC(=O)O)c3ccccc3n2)c1
InChIInChI=1S/C18H17N5O3/c1-11(24)20-12-5-4-6-13(9-12)21-18-22-15-8-3-2-7-14(15)17(23-18)19-10-16(25)26/h2-9H,10H2,1H3,(H,20,24)(H,25,26)(H2,19,21,22,23)
InChIKeyBSJVFTPCRLFBFM-UHFFFAOYSA-N
MW351.37 g/mol
LogP2.83
Rot. Bonds6

About 2-[[2-(3-acetamidoanilino)quinazolin-4-yl]amino]acetic acid

2-[[2-(3-acetamidoanilino)quinazolin-4-yl]amino]acetic acid (PubChem CID 91963942) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 2-[[2-(3-acetamidoanilino)quinazolin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(3-acetamidoanilino)quinazolin-4-yl]amino]acetic acid
PubChem CID91963942
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name2-[[2-(3-acetamidoanilino)quinazolin-4-yl]amino]acetic acid
SMILESCC(=O)Nc1cccc(Nc2nc(NCC(=O)O)c3ccccc3n2)c1
InChIInChI=1S/C18H17N5O3/c1-11(24)20-12-5-4-6-13(9-12)21-18-22-15-8-3-2-7-14(15)17(23-18)19-10-16(25)26/h2-9H,10H2,1H3,(H,20,24)(H,25,26)(H2,19,21,22,23)
InChIKeyBSJVFTPCRLFBFM-UHFFFAOYSA-N
XLogP2.83
TPSA116.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 52.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(4-anilinoquinazolin-2-yl)amino]phenyl]acetamide
CID 71690531
N-[3-[[4-(dimethylamino)quinazolin-2-yl]amino]phenyl]acetamide;hydrochloride
CID 52995658
2-[[2-(4-methoxycarbonylanilino)quinazolin-4-yl]amino]acetic acid
CID 91963954
2-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]acetic acid
CID 91963933
N-(4-anilinoquinazolin-2-yl)acetamide
CID 69107194
N-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]acetamide
CID 50944617
1-[3-[[4-[(4-fluorophenyl)methylamino]quinazolin-2-yl]amino]phenyl]ethanone
CID 91963399
N-[3-[[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]quinazolin-2-yl]amino]phenyl]acetamide
CID 175678392
1-[3-[[4-(cyclopropylamino)quinazolin-2-yl]amino]phenyl]ethanone
CID 50946478
3-[[4-(3-methoxypropylamino)quinazolin-2-yl]amino]benzoic acid
CID 91963329
4-N-benzyl-2-N-(3-chlorophenyl)quinazoline-2,4-diamine;hydrochloride
CID 44658873
3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenol chloride
CID 53351223

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-acetamidoanilino)quinazolin-4-yl]amino]acetic acid?
The IUPAC name of 2-[[2-(3-acetamidoanilino)quinazolin-4-yl]amino]acetic acid (CID 91963942) is 2-[[2-(3-acetamidoanilino)quinazolin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(3-acetamidoanilino)quinazolin-4-yl]amino]acetic acid?
The canonical SMILES for 2-[[2-(3-acetamidoanilino)quinazolin-4-yl]amino]acetic acid is CC(=O)Nc1cccc(Nc2nc(NCC(=O)O)c3ccccc3n2)c1.
What is the InChIKey of 2-[[2-(3-acetamidoanilino)quinazolin-4-yl]amino]acetic acid?
The InChIKey is BSJVFTPCRLFBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-11(24)20-12-5-4-6-13(9-12)21-18-22-15-8-3-2-7-14(15)17(23-18)19-10-16(25)26/h2-9H,10H2,1H3,(H,20,24)(H,25,26)(H2,19,21,22,23).
What are the key properties of 2-[[2-(3-acetamidoanilino)quinazolin-4-yl]amino]acetic acid?
2-[[2-(3-acetamidoanilino)quinazolin-4-yl]amino]acetic acid has a molecular weight of 351.37 g/mol, XLogP of 2.83, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-acetamidoanilino)quinazolin-4-yl]amino]acetic acid is sourced from PubChem (CID 91963942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).