N,N'-dimethyl-N'-[8-methyl-3-(morpholin-4-ylmethyl)quinolin-2-yl]ethane-1,2-diamine

C19H28N4O — CID 66802121

IUPACN,N'-dimethyl-N'-[8-methyl-3-(morpholin-4-ylmethyl)quinolin-2-yl]ethane-1,2-diamine
SMILESCNCCN(C)c1nc2c(C)cccc2cc1CN1CCOCC1
InChIInChI=1S/C19H28N4O/c1-15-5-4-6-16-13-17(14-23-9-11-24-12-10-23)19(21-18(15)16)22(3)8-7-20-2/h4-6,13,20H,7-12,14H2,1-3H3
InChIKeyNSJVUQNTUPAQGW-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.03
Rot. Bonds6

About N,N'-dimethyl-N'-[8-methyl-3-(morpholin-4-ylmethyl)quinolin-2-yl]ethane-1,2-diamine

N,N'-dimethyl-N'-[8-methyl-3-(morpholin-4-ylmethyl)quinolin-2-yl]ethane-1,2-diamine (PubChem CID 66802121) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[8-methyl-3-(morpholin-4-ylmethyl)quinolin-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[8-methyl-3-(morpholin-4-ylmethyl)quinolin-2-yl]ethane-1,2-diamine
PubChem CID66802121
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN,N'-dimethyl-N'-[8-methyl-3-(morpholin-4-ylmethyl)quinolin-2-yl]ethane-1,2-diamine
SMILESCNCCN(C)c1nc2c(C)cccc2cc1CN1CCOCC1
InChIInChI=1S/C19H28N4O/c1-15-5-4-6-16-13-17(14-23-9-11-24-12-10-23)19(21-18(15)16)22(3)8-7-20-2/h4-6,13,20H,7-12,14H2,1-3H3
InChIKeyNSJVUQNTUPAQGW-UHFFFAOYSA-N
XLogP2.03
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[8-methyl-3-(morpholin-4-ylmethyl)quinolin-2-yl]ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-[8-methyl-3-(morpholin-4-ylmethyl)quinolin-2-yl]ethane-1,2-diamine (CID 66802121) is N,N'-dimethyl-N'-[8-methyl-3-(morpholin-4-ylmethyl)quinolin-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[8-methyl-3-(morpholin-4-ylmethyl)quinolin-2-yl]ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[8-methyl-3-(morpholin-4-ylmethyl)quinolin-2-yl]ethane-1,2-diamine is CNCCN(C)c1nc2c(C)cccc2cc1CN1CCOCC1.
What is the InChIKey of N,N'-dimethyl-N'-[8-methyl-3-(morpholin-4-ylmethyl)quinolin-2-yl]ethane-1,2-diamine?
The InChIKey is NSJVUQNTUPAQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-15-5-4-6-16-13-17(14-23-9-11-24-12-10-23)19(21-18(15)16)22(3)8-7-20-2/h4-6,13,20H,7-12,14H2,1-3H3.
What are the key properties of N,N'-dimethyl-N'-[8-methyl-3-(morpholin-4-ylmethyl)quinolin-2-yl]ethane-1,2-diamine?
N,N'-dimethyl-N'-[8-methyl-3-(morpholin-4-ylmethyl)quinolin-2-yl]ethane-1,2-diamine has a molecular weight of 328.46 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[8-methyl-3-(morpholin-4-ylmethyl)quinolin-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 66802121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).