6-(2-chloroethoxy)-N-[4-[(E)-prop-1-enyl]phenyl]quinazolin-4-amine

C19H18ClN3O — CID 141410555

IUPAC6-(2-chloroethoxy)-N-[4-[(E)-prop-1-enyl]phenyl]quinazolin-4-amine
SMILESC/C=C/c1ccc(Nc2ncnc3ccc(OCCCl)cc23)cc1
InChIInChI=1S/C19H18ClN3O/c1-2-3-14-4-6-15(7-5-14)23-19-17-12-16(24-11-10-20)8-9-18(17)21-13-22-19/h2-9,12-13H,10-11H2,1H3,(H,21,22,23)/b3-2+
InChIKeyZKVLSHOVQQCEAO-NSCUHMNNSA-N
MW339.83 g/mol
LogP5.02
Rot. Bonds6

About 6-(2-chloroethoxy)-N-[4-[(E)-prop-1-enyl]phenyl]quinazolin-4-amine

6-(2-chloroethoxy)-N-[4-[(E)-prop-1-enyl]phenyl]quinazolin-4-amine (PubChem CID 141410555) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 6-(2-chloroethoxy)-N-[4-[(E)-prop-1-enyl]phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-(2-chloroethoxy)-N-[4-[(E)-prop-1-enyl]phenyl]quinazolin-4-amine
PubChem CID141410555
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name6-(2-chloroethoxy)-N-[4-[(E)-prop-1-enyl]phenyl]quinazolin-4-amine
SMILESC/C=C/c1ccc(Nc2ncnc3ccc(OCCCl)cc23)cc1
InChIInChI=1S/C19H18ClN3O/c1-2-3-14-4-6-15(7-5-14)23-19-17-12-16(24-11-10-20)8-9-18(17)21-13-22-19/h2-9,12-13H,10-11H2,1H3,(H,21,22,23)/b3-2+
InChIKeyZKVLSHOVQQCEAO-NSCUHMNNSA-N
XLogP5.02
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.83
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6,7-bis(2-methoxyethoxy)-N-[4-[(E)-prop-1-enyl]phenyl]quinazolin-4-amine
CID 141410537
6-bromo-N-[4-[(E)-2-phenylethenyl]phenyl]quinazolin-4-amine
CID 53482314
3-[4-(4-phenoxyanilino)quinazolin-6-yl]prop-2-en-1-ol
CID 69485575
6-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]oxy-N-hydroxyhexanamide
CID 24945114
6-methyl-N-(4-methylphenyl)quinazolin-4-amine
CID 5328827
ethyl 5-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]oxypentanoate
CID 66755406
ethyl 6-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]oxyhexanoate
CID 66755682
6-N-(2-chloroethyl)-4-N-(3-methoxyphenyl)quinazoline-4,6-diamine
CID 166972075
[2-chloro-4-[[6-[2-(methylamino)ethoxy]quinazolin-4-yl]amino]phenyl]-phenylmethanone;dihydrochloride
CID 18967674
4-N-(4-propylphenyl)quinazoline-4,6-diamine
CID 64589074
ethyl 2-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]oxyacetate
CID 66755921
6-[3-(2-methylsulfonylethylamino)propoxy]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329486

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloroethoxy)-N-[4-[(E)-prop-1-enyl]phenyl]quinazolin-4-amine?
The IUPAC name of 6-(2-chloroethoxy)-N-[4-[(E)-prop-1-enyl]phenyl]quinazolin-4-amine (CID 141410555) is 6-(2-chloroethoxy)-N-[4-[(E)-prop-1-enyl]phenyl]quinazolin-4-amine.
What is the SMILES notation for 6-(2-chloroethoxy)-N-[4-[(E)-prop-1-enyl]phenyl]quinazolin-4-amine?
The canonical SMILES for 6-(2-chloroethoxy)-N-[4-[(E)-prop-1-enyl]phenyl]quinazolin-4-amine is C/C=C/c1ccc(Nc2ncnc3ccc(OCCCl)cc23)cc1.
What is the InChIKey of 6-(2-chloroethoxy)-N-[4-[(E)-prop-1-enyl]phenyl]quinazolin-4-amine?
The InChIKey is ZKVLSHOVQQCEAO-NSCUHMNNSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-2-3-14-4-6-15(7-5-14)23-19-17-12-16(24-11-10-20)8-9-18(17)21-13-22-19/h2-9,12-13H,10-11H2,1H3,(H,21,22,23)/b3-2+.
What are the key properties of 6-(2-chloroethoxy)-N-[4-[(E)-prop-1-enyl]phenyl]quinazolin-4-amine?
6-(2-chloroethoxy)-N-[4-[(E)-prop-1-enyl]phenyl]quinazolin-4-amine has a molecular weight of 339.83 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloroethoxy)-N-[4-[(E)-prop-1-enyl]phenyl]quinazolin-4-amine is sourced from PubChem (CID 141410555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).