carbamoyl-[[1-(3-methoxyphenyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]azanium

C18H22N3O2+ — CID 147153265

IUPACcarbamoyl-[[1-(3-methoxyphenyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]azanium
SMILESCOc1cccc(N2CCCc3cc(C[NH2+]C(N)=O)ccc32)c1
InChIInChI=1S/C18H21N3O2/c1-23-16-6-2-5-15(11-16)21-9-3-4-14-10-13(7-8-17(14)21)12-20-18(19)22/h2,5-8,10-11H,3-4,9,12H2,1H3,(H3,19,20,22)/p+1
InChIKeyBUJYDHVRKIQSNU-UHFFFAOYSA-O
MW312.39 g/mol
LogP1.92
Rot. Bonds4

About carbamoyl-[[1-(3-methoxyphenyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]azanium

carbamoyl-[[1-(3-methoxyphenyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]azanium (PubChem CID 147153265) has the molecular formula C18H22N3O2+ and a molecular weight of 312.39 g/mol. Its IUPAC name is carbamoyl-[[1-(3-methoxyphenyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]azanium.

Molecular Properties

Compound Namecarbamoyl-[[1-(3-methoxyphenyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]azanium
PubChem CID147153265
Molecular FormulaC18H22N3O2+
Molecular Weight312.39 g/mol
Exact Mass312.17
IUPAC Namecarbamoyl-[[1-(3-methoxyphenyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]azanium
SMILESCOc1cccc(N2CCCc3cc(C[NH2+]C(N)=O)ccc32)c1
InChIInChI=1S/C18H21N3O2/c1-23-16-6-2-5-15(11-16)21-9-3-4-14-10-13(7-8-17(14)21)12-20-18(19)22/h2,5-8,10-11H,3-4,9,12H2,1H3,(H3,19,20,22)/p+1
InChIKeyBUJYDHVRKIQSNU-UHFFFAOYSA-O
XLogP1.92
TPSA72.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze carbamoyl-[[1-(3-methoxyphenyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]azanium with MolForge

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Related Compounds

[3-(5-methoxy-2,3-dihydroindol-1-yl)phenyl]methanamine;hydrochloride
CID 13324734
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-[(3-methoxyphenyl)methyl]azanium
CID 2392926
1-(3-methoxyphenyl)pyrrolidine-2-thione
CID 14089758
1-(3-ethylphenyl)-3,4-dihydro-2H-quinoline
CID 67553271
3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 43227216
3-methoxy-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)cyclobut-3-ene-1,2-dione
CID 155926127
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone
CID 28707170
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109242624
1-(3-methoxyphenyl)-3-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea
CID 30379224
3-methoxy-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62096662
3-methoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687642

Frequently Asked Questions

What is the IUPAC name of carbamoyl-[[1-(3-methoxyphenyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]azanium?
The IUPAC name of carbamoyl-[[1-(3-methoxyphenyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]azanium (CID 147153265) is carbamoyl-[[1-(3-methoxyphenyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]azanium.
What is the SMILES notation for carbamoyl-[[1-(3-methoxyphenyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]azanium?
The canonical SMILES for carbamoyl-[[1-(3-methoxyphenyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]azanium is COc1cccc(N2CCCc3cc(C[NH2+]C(N)=O)ccc32)c1.
What is the InChIKey of carbamoyl-[[1-(3-methoxyphenyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]azanium?
The InChIKey is BUJYDHVRKIQSNU-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H21N3O2/c1-23-16-6-2-5-15(11-16)21-9-3-4-14-10-13(7-8-17(14)21)12-20-18(19)22/h2,5-8,10-11H,3-4,9,12H2,1H3,(H3,19,20,22)/p+1.
What are the key properties of carbamoyl-[[1-(3-methoxyphenyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]azanium?
carbamoyl-[[1-(3-methoxyphenyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]azanium has a molecular weight of 312.39 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl-[[1-(3-methoxyphenyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]azanium is sourced from PubChem (CID 147153265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).