N-methyl-N-(3-morpholin-4-ylpropyl)-6-phenoxyquinolin-4-amine

C23H27N3O2 — CID 154873066

IUPACN-methyl-N-(3-morpholin-4-ylpropyl)-6-phenoxyquinolin-4-amine
SMILESCN(CCCN1CCOCC1)c1ccnc2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C23H27N3O2/c1-25(12-5-13-26-14-16-27-17-15-26)23-10-11-24-22-9-8-20(18-21(22)23)28-19-6-3-2-4-7-19/h2-4,6-11,18H,5,12-17H2,1H3
InChIKeyHYWYFBQBKVCLQC-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.19
Rot. Bonds7

About N-methyl-N-(3-morpholin-4-ylpropyl)-6-phenoxyquinolin-4-amine

N-methyl-N-(3-morpholin-4-ylpropyl)-6-phenoxyquinolin-4-amine (PubChem CID 154873066) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-methyl-N-(3-morpholin-4-ylpropyl)-6-phenoxyquinolin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(3-morpholin-4-ylpropyl)-6-phenoxyquinolin-4-amine
PubChem CID154873066
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-methyl-N-(3-morpholin-4-ylpropyl)-6-phenoxyquinolin-4-amine
SMILESCN(CCCN1CCOCC1)c1ccnc2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C23H27N3O2/c1-25(12-5-13-26-14-16-27-17-15-26)23-10-11-24-22-9-8-20(18-21(22)23)28-19-6-3-2-4-7-19/h2-4,6-11,18H,5,12-17H2,1H3
InChIKeyHYWYFBQBKVCLQC-UHFFFAOYSA-N
XLogP4.19
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(4-piperidin-1-ylbutyl)quinolin-4-amine;oxalic acid
CID 11420170
N-(3-morpholin-4-ylpropyl)-N-[(3-phenoxyphenyl)methyl]butanamide
CID 42701309
4-[6-[3-morpholin-4-ylpropyl(prop-2-enoyl)amino]quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
CID 121273727
4-[3-(3-pyridin-2-yloxyphenyl)propyl]morpholine
CID 170869968
1-(morpholin-4-ylmethyl)-7-phenoxyisoquinolin-4-ol
CID 175797878
2-(aminomethyl)-N,N-dimethyl-6-phenoxyquinolin-4-amine
CID 82251171
N-ethyl-6-phenoxyquinolin-4-amine
CID 63485387
N-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 67379055
1-(6-methoxyquinolin-4-yl)-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanol
CID 22386516
N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 61340085
4-[3-[4-(3-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]morpholine
CID 141064103
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3-phenoxybenzamide
CID 29071594

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-morpholin-4-ylpropyl)-6-phenoxyquinolin-4-amine?
The IUPAC name of N-methyl-N-(3-morpholin-4-ylpropyl)-6-phenoxyquinolin-4-amine (CID 154873066) is N-methyl-N-(3-morpholin-4-ylpropyl)-6-phenoxyquinolin-4-amine.
What is the SMILES notation for N-methyl-N-(3-morpholin-4-ylpropyl)-6-phenoxyquinolin-4-amine?
The canonical SMILES for N-methyl-N-(3-morpholin-4-ylpropyl)-6-phenoxyquinolin-4-amine is CN(CCCN1CCOCC1)c1ccnc2ccc(Oc3ccccc3)cc12.
What is the InChIKey of N-methyl-N-(3-morpholin-4-ylpropyl)-6-phenoxyquinolin-4-amine?
The InChIKey is HYWYFBQBKVCLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-25(12-5-13-26-14-16-27-17-15-26)23-10-11-24-22-9-8-20(18-21(22)23)28-19-6-3-2-4-7-19/h2-4,6-11,18H,5,12-17H2,1H3.
What are the key properties of N-methyl-N-(3-morpholin-4-ylpropyl)-6-phenoxyquinolin-4-amine?
N-methyl-N-(3-morpholin-4-ylpropyl)-6-phenoxyquinolin-4-amine has a molecular weight of 377.49 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-morpholin-4-ylpropyl)-6-phenoxyquinolin-4-amine is sourced from PubChem (CID 154873066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).