6,7-bis(2-methoxyethoxy)-N-prop-1-ynylquinolin-4-amine

C18H22N2O4 — CID 176902047

IUPAC6,7-bis(2-methoxyethoxy)-N-prop-1-ynylquinolin-4-amine
SMILESCC#CNc1ccnc2cc(OCCOC)c(OCCOC)cc12
InChIInChI=1S/C18H22N2O4/c1-4-6-19-15-5-7-20-16-13-18(24-11-9-22-3)17(12-14(15)16)23-10-8-21-2/h5,7,12-13H,8-11H2,1-3H3,(H,19,20)
InChIKeyMKBAMQKDZVNANV-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.68
Rot. Bonds9

About 6,7-bis(2-methoxyethoxy)-N-prop-1-ynylquinolin-4-amine

6,7-bis(2-methoxyethoxy)-N-prop-1-ynylquinolin-4-amine (PubChem CID 176902047) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 6,7-bis(2-methoxyethoxy)-N-prop-1-ynylquinolin-4-amine.

Molecular Properties

Compound Name6,7-bis(2-methoxyethoxy)-N-prop-1-ynylquinolin-4-amine
PubChem CID176902047
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name6,7-bis(2-methoxyethoxy)-N-prop-1-ynylquinolin-4-amine
SMILESCC#CNc1ccnc2cc(OCCOC)c(OCCOC)cc12
InChIInChI=1S/C18H22N2O4/c1-4-6-19-15-5-7-20-16-13-18(24-11-9-22-3)17(12-14(15)16)23-10-8-21-2/h5,7,12-13H,8-11H2,1-3H3,(H,19,20)
InChIKeyMKBAMQKDZVNANV-UHFFFAOYSA-N
XLogP2.68
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6,7-diethoxy-N-methylquinolin-4-amine
CID 62192228
6,7-dimethoxy-N-methylquinolin-4-amine
CID 62190466
4-(3-hydroxy-4-methylanilino)-7-(2-methoxyethoxy)quinoline-6-carbonitrile
CID 22646538
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
6,7-bis(2-methoxyethoxy)-N,N-dimethylquinazolin-4-amine
CID 149497994
2-[(6,7-dimethoxyquinolin-4-yl)amino]ethanol
CID 159856965
N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-(2-(111C)methoxyethoxy)quinazolin-4-amine
CID 44625620
6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one;ethane
CID 143274794
N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;silver
CID 175128959
6,7-diethoxy-N-(4-fluorophenyl)quinolin-4-amine
CID 50877941
6,7-bis(2-methoxyethoxy)-N-[4-[(E)-prop-1-enyl]phenyl]quinazolin-4-amine
CID 141410537

Frequently Asked Questions

What is the IUPAC name of 6,7-bis(2-methoxyethoxy)-N-prop-1-ynylquinolin-4-amine?
The IUPAC name of 6,7-bis(2-methoxyethoxy)-N-prop-1-ynylquinolin-4-amine (CID 176902047) is 6,7-bis(2-methoxyethoxy)-N-prop-1-ynylquinolin-4-amine.
What is the SMILES notation for 6,7-bis(2-methoxyethoxy)-N-prop-1-ynylquinolin-4-amine?
The canonical SMILES for 6,7-bis(2-methoxyethoxy)-N-prop-1-ynylquinolin-4-amine is CC#CNc1ccnc2cc(OCCOC)c(OCCOC)cc12.
What is the InChIKey of 6,7-bis(2-methoxyethoxy)-N-prop-1-ynylquinolin-4-amine?
The InChIKey is MKBAMQKDZVNANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-4-6-19-15-5-7-20-16-13-18(24-11-9-22-3)17(12-14(15)16)23-10-8-21-2/h5,7,12-13H,8-11H2,1-3H3,(H,19,20).
What are the key properties of 6,7-bis(2-methoxyethoxy)-N-prop-1-ynylquinolin-4-amine?
6,7-bis(2-methoxyethoxy)-N-prop-1-ynylquinolin-4-amine has a molecular weight of 330.38 g/mol, XLogP of 2.68, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(2-methoxyethoxy)-N-prop-1-ynylquinolin-4-amine is sourced from PubChem (CID 176902047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).