1-[2-[amino(2-morpholin-4-ylethyl)amino]ethyl]-3,4-dihydro-2H-quinolin-7-amine

C17H29N5O — CID 134503095

IUPAC1-[2-[amino(2-morpholin-4-ylethyl)amino]ethyl]-3,4-dihydro-2H-quinolin-7-amine
SMILESNc1ccc2c(c1)N(CCN(N)CCN1CCOCC1)CCC2
InChIInChI=1S/C17H29N5O/c18-16-4-3-15-2-1-5-21(17(15)14-16)7-9-22(19)8-6-20-10-12-23-13-11-20/h3-4,14H,1-2,5-13,18-19H2
InChIKeyOJCVQKXYQZUNTK-UHFFFAOYSA-N
MW319.45 g/mol
LogP0.53
Rot. Bonds6

About 1-[2-[amino(2-morpholin-4-ylethyl)amino]ethyl]-3,4-dihydro-2H-quinolin-7-amine

1-[2-[amino(2-morpholin-4-ylethyl)amino]ethyl]-3,4-dihydro-2H-quinolin-7-amine (PubChem CID 134503095) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-[2-[amino(2-morpholin-4-ylethyl)amino]ethyl]-3,4-dihydro-2H-quinolin-7-amine.

Molecular Properties

Compound Name1-[2-[amino(2-morpholin-4-ylethyl)amino]ethyl]-3,4-dihydro-2H-quinolin-7-amine
PubChem CID134503095
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name1-[2-[amino(2-morpholin-4-ylethyl)amino]ethyl]-3,4-dihydro-2H-quinolin-7-amine
SMILESNc1ccc2c(c1)N(CCN(N)CCN1CCOCC1)CCC2
InChIInChI=1S/C17H29N5O/c18-16-4-3-15-2-1-5-21(17(15)14-16)7-9-22(19)8-6-20-10-12-23-13-11-20/h3-4,14H,1-2,5-13,18-19H2
InChIKeyOJCVQKXYQZUNTK-UHFFFAOYSA-N
XLogP0.53
TPSA70.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[amino(2-morpholin-4-ylethyl)amino]ethyl]-3,4-dihydro-2H-quinolin-7-amine?
The IUPAC name of 1-[2-[amino(2-morpholin-4-ylethyl)amino]ethyl]-3,4-dihydro-2H-quinolin-7-amine (CID 134503095) is 1-[2-[amino(2-morpholin-4-ylethyl)amino]ethyl]-3,4-dihydro-2H-quinolin-7-amine.
What is the SMILES notation for 1-[2-[amino(2-morpholin-4-ylethyl)amino]ethyl]-3,4-dihydro-2H-quinolin-7-amine?
The canonical SMILES for 1-[2-[amino(2-morpholin-4-ylethyl)amino]ethyl]-3,4-dihydro-2H-quinolin-7-amine is Nc1ccc2c(c1)N(CCN(N)CCN1CCOCC1)CCC2.
What is the InChIKey of 1-[2-[amino(2-morpholin-4-ylethyl)amino]ethyl]-3,4-dihydro-2H-quinolin-7-amine?
The InChIKey is OJCVQKXYQZUNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c18-16-4-3-15-2-1-5-21(17(15)14-16)7-9-22(19)8-6-20-10-12-23-13-11-20/h3-4,14H,1-2,5-13,18-19H2.
What are the key properties of 1-[2-[amino(2-morpholin-4-ylethyl)amino]ethyl]-3,4-dihydro-2H-quinolin-7-amine?
1-[2-[amino(2-morpholin-4-ylethyl)amino]ethyl]-3,4-dihydro-2H-quinolin-7-amine has a molecular weight of 319.45 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[amino(2-morpholin-4-ylethyl)amino]ethyl]-3,4-dihydro-2H-quinolin-7-amine is sourced from PubChem (CID 134503095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).