6,7-bis(2-methoxyethoxy)-N-[4-[(E)-prop-1-enyl]phenyl]quinazolin-4-amine

C23H27N3O4 — CID 141410537

IUPAC6,7-bis(2-methoxyethoxy)-N-[4-[(E)-prop-1-enyl]phenyl]quinazolin-4-amine
SMILESC/C=C/c1ccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)cc1
InChIInChI=1S/C23H27N3O4/c1-4-5-17-6-8-18(9-7-17)26-23-19-14-21(29-12-10-27-2)22(30-13-11-28-3)15-20(19)24-16-25-23/h4-9,14-16H,10-13H2,1-3H3,(H,24,25,26)/b5-4+
InChIKeyJGUSQLYXUGGEOI-SNAWJCMRSA-N
MW409.49 g/mol
LogP4.46
Rot. Bonds11

About 6,7-bis(2-methoxyethoxy)-N-[4-[(E)-prop-1-enyl]phenyl]quinazolin-4-amine

6,7-bis(2-methoxyethoxy)-N-[4-[(E)-prop-1-enyl]phenyl]quinazolin-4-amine (PubChem CID 141410537) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 6,7-bis(2-methoxyethoxy)-N-[4-[(E)-prop-1-enyl]phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7-bis(2-methoxyethoxy)-N-[4-[(E)-prop-1-enyl]phenyl]quinazolin-4-amine
PubChem CID141410537
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name6,7-bis(2-methoxyethoxy)-N-[4-[(E)-prop-1-enyl]phenyl]quinazolin-4-amine
SMILESC/C=C/c1ccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)cc1
InChIInChI=1S/C23H27N3O4/c1-4-5-17-6-8-18(9-7-17)26-23-19-14-21(29-12-10-27-2)22(30-13-11-28-3)15-20(19)24-16-25-23/h4-9,14-16H,10-13H2,1-3H3,(H,24,25,26)/b5-4+
InChIKeyJGUSQLYXUGGEOI-SNAWJCMRSA-N
XLogP4.46
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-N-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]benzene-1,4-diamine
CID 171420006
N-(4-chlorophenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
CID 139073723
tert-butyl N-[4-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]carbamate
CID 171419876
[[4-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-hydroxyphosphoryl]methylphosphonic acid
CID 10301892
6-(2-ethoxyethoxy)-N-(4-ethynylphenyl)-7-(2-methoxyethoxy)quinazolin-4-amine
CID 143713379
6-(2-chloroethoxy)-N-[4-[(E)-prop-1-enyl]phenyl]quinazolin-4-amine
CID 141410555
N-(3-tert-butylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;ethane
CID 142379522
N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-(2-(111C)methoxyethoxy)quinazolin-4-amine
CID 44625620
N-(1-adamantyl)-4-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]benzamide
CID 127042644
N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;silver
CID 175128959
N-[3-(2-fluoroethynyl)phenyl]-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
CID 71183994
N-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 141309114

Frequently Asked Questions

What is the IUPAC name of 6,7-bis(2-methoxyethoxy)-N-[4-[(E)-prop-1-enyl]phenyl]quinazolin-4-amine?
The IUPAC name of 6,7-bis(2-methoxyethoxy)-N-[4-[(E)-prop-1-enyl]phenyl]quinazolin-4-amine (CID 141410537) is 6,7-bis(2-methoxyethoxy)-N-[4-[(E)-prop-1-enyl]phenyl]quinazolin-4-amine.
What is the SMILES notation for 6,7-bis(2-methoxyethoxy)-N-[4-[(E)-prop-1-enyl]phenyl]quinazolin-4-amine?
The canonical SMILES for 6,7-bis(2-methoxyethoxy)-N-[4-[(E)-prop-1-enyl]phenyl]quinazolin-4-amine is C/C=C/c1ccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)cc1.
What is the InChIKey of 6,7-bis(2-methoxyethoxy)-N-[4-[(E)-prop-1-enyl]phenyl]quinazolin-4-amine?
The InChIKey is JGUSQLYXUGGEOI-SNAWJCMRSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-4-5-17-6-8-18(9-7-17)26-23-19-14-21(29-12-10-27-2)22(30-13-11-28-3)15-20(19)24-16-25-23/h4-9,14-16H,10-13H2,1-3H3,(H,24,25,26)/b5-4+.
What are the key properties of 6,7-bis(2-methoxyethoxy)-N-[4-[(E)-prop-1-enyl]phenyl]quinazolin-4-amine?
6,7-bis(2-methoxyethoxy)-N-[4-[(E)-prop-1-enyl]phenyl]quinazolin-4-amine has a molecular weight of 409.49 g/mol, XLogP of 4.46, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(2-methoxyethoxy)-N-[4-[(E)-prop-1-enyl]phenyl]quinazolin-4-amine is sourced from PubChem (CID 141410537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).