2-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]acetic acid

C20H23N5O2 — CID 91963933

IUPAC2-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]acetic acid
SMILESCCN(CC)c1ccc(Nc2nc(NCC(=O)O)c3ccccc3n2)cc1
InChIInChI=1S/C20H23N5O2/c1-3-25(4-2)15-11-9-14(10-12-15)22-20-23-17-8-6-5-7-16(17)19(24-20)21-13-18(26)27/h5-12H,3-4,13H2,1-2H3,(H,26,27)(H2,21,22,23,24)
InChIKeySACIVIYAYNHJTI-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.72
Rot. Bonds8

About 2-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]acetic acid

2-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]acetic acid (PubChem CID 91963933) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]acetic acid
PubChem CID91963933
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]acetic acid
SMILESCCN(CC)c1ccc(Nc2nc(NCC(=O)O)c3ccccc3n2)cc1
InChIInChI=1S/C20H23N5O2/c1-3-25(4-2)15-11-9-14(10-12-15)22-20-23-17-8-6-5-7-16(17)19(24-20)21-13-18(26)27/h5-12H,3-4,13H2,1-2H3,(H,26,27)(H2,21,22,23,24)
InChIKeySACIVIYAYNHJTI-UHFFFAOYSA-N
XLogP3.72
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(4-methoxycarbonylanilino)quinazolin-4-yl]amino]acetic acid
CID 91963954
2-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]butan-1-ol
CID 91964106
2-[[2-(3-acetamidoanilino)quinazolin-4-yl]amino]acetic acid
CID 91963942
2-[4-(diethylamino)anilino]acetic acid;dihydrochloride
CID 131880910
N-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]acetamide
CID 50944617
methyl 4-[[4-(propylamino)quinazolin-2-yl]amino]benzoate
CID 91966196
1-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]ethanone;hydrochloride
CID 52996217
2-N-[4-(dimethylamino)phenyl]-4-N-(2-methoxyethyl)quinazoline-2,4-diamine
CID 91963816
2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]quinazoline-2,4-diamine
CID 12703241
2-N-(4-fluorophenyl)-4-N-propylquinazoline-2,4-diamine
CID 91966173
2-N-[4-(dimethylamino)phenyl]-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine
CID 91963396
methyl 2-[[2-(ethylamino)quinazolin-4-yl]amino]acetate
CID 80777540

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]acetic acid?
The IUPAC name of 2-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]acetic acid (CID 91963933) is 2-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]acetic acid?
The canonical SMILES for 2-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]acetic acid is CCN(CC)c1ccc(Nc2nc(NCC(=O)O)c3ccccc3n2)cc1.
What is the InChIKey of 2-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]acetic acid?
The InChIKey is SACIVIYAYNHJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-3-25(4-2)15-11-9-14(10-12-15)22-20-23-17-8-6-5-7-16(17)19(24-20)21-13-18(26)27/h5-12H,3-4,13H2,1-2H3,(H,26,27)(H2,21,22,23,24).
What are the key properties of 2-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]acetic acid?
2-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]acetic acid has a molecular weight of 365.44 g/mol, XLogP of 3.72, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]acetic acid is sourced from PubChem (CID 91963933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).