[8-[[5-(dimethylcarbamoyloxy)quinolin-8-yl]methyl]quinolin-5-yl] N,N-dimethylcarbamate

C25H24N4O4 — CID 140575764

IUPAC[8-[[5-(dimethylcarbamoyloxy)quinolin-8-yl]methyl]quinolin-5-yl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc(Cc2ccc(OC(=O)N(C)C)c3cccnc23)c2ncccc12
InChIInChI=1S/C25H24N4O4/c1-28(2)24(30)32-20-11-9-16(22-18(20)7-5-13-26-22)15-17-10-12-21(33-25(31)29(3)4)19-8-6-14-27-23(17)19/h5-14H,15H2,1-4H3
InChIKeyXHQWVNCIYQXUSQ-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.49
Rot. Bonds4

About [8-[[5-(dimethylcarbamoyloxy)quinolin-8-yl]methyl]quinolin-5-yl] N,N-dimethylcarbamate

[8-[[5-(dimethylcarbamoyloxy)quinolin-8-yl]methyl]quinolin-5-yl] N,N-dimethylcarbamate (PubChem CID 140575764) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is [8-[[5-(dimethylcarbamoyloxy)quinolin-8-yl]methyl]quinolin-5-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[8-[[5-(dimethylcarbamoyloxy)quinolin-8-yl]methyl]quinolin-5-yl] N,N-dimethylcarbamate
PubChem CID140575764
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC Name[8-[[5-(dimethylcarbamoyloxy)quinolin-8-yl]methyl]quinolin-5-yl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc(Cc2ccc(OC(=O)N(C)C)c3cccnc23)c2ncccc12
InChIInChI=1S/C25H24N4O4/c1-28(2)24(30)32-20-11-9-16(22-18(20)7-5-13-26-22)15-17-10-12-21(33-25(31)29(3)4)19-8-6-14-27-23(17)19/h5-14H,15H2,1-4H3
InChIKeyXHQWVNCIYQXUSQ-UHFFFAOYSA-N
XLogP4.49
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [8-[[5-(dimethylcarbamoyloxy)quinolin-8-yl]methyl]quinolin-5-yl] N,N-dimethylcarbamate with MolForge

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Related Compounds

[5-[[[8-(dimethylcarbamoyloxy)quinolin-5-yl]methyl-ethynylamino]methyl]quinolin-8-yl] N,N-dimethylcarbamate
CID 46862050
[5-[(4-prop-2-ynylpiperidin-1-yl)methyl]quinolin-8-yl] N,N-dimethylcarbamate
CID 46843060
(5-chloroquinolin-8-yl) N,N-diethylcarbamate
CID 712597
methyl N-(5-methoxyquinolin-8-yl)-N-methylcarbamate
CID 139305519
(5-nitroquinolin-8-yl) N,N-diethylcarbamate
CID 175460748
[1-[15-[5-(dimethylcarbamoyloxy)isoquinolin-1-yl]pentadecyl]isoquinolin-5-yl] N,N-dimethylcarbamate;dihydrobromide
CID 173406385
8-(chloromethyl)-5-methoxyquinoline
CID 66754973
3-[(8-methoxyquinolin-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide
CID 91828636
[2-[[cyclohexyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate
CID 3074957
[5-[[ethyl(methyl)amino]methyl]quinolin-8-yl] piperidine-1-carboxylate
CID 91346957
2-[methyl-(5-nitroquinolin-8-yl)oxycarbonylamino]acetic acid
CID 146455566
1-(8-methoxyquinolin-5-yl)-N-methylmethanamine
CID 16640560

Frequently Asked Questions

What is the IUPAC name of [8-[[5-(dimethylcarbamoyloxy)quinolin-8-yl]methyl]quinolin-5-yl] N,N-dimethylcarbamate?
The IUPAC name of [8-[[5-(dimethylcarbamoyloxy)quinolin-8-yl]methyl]quinolin-5-yl] N,N-dimethylcarbamate (CID 140575764) is [8-[[5-(dimethylcarbamoyloxy)quinolin-8-yl]methyl]quinolin-5-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [8-[[5-(dimethylcarbamoyloxy)quinolin-8-yl]methyl]quinolin-5-yl] N,N-dimethylcarbamate?
The canonical SMILES for [8-[[5-(dimethylcarbamoyloxy)quinolin-8-yl]methyl]quinolin-5-yl] N,N-dimethylcarbamate is CN(C)C(=O)Oc1ccc(Cc2ccc(OC(=O)N(C)C)c3cccnc23)c2ncccc12.
What is the InChIKey of [8-[[5-(dimethylcarbamoyloxy)quinolin-8-yl]methyl]quinolin-5-yl] N,N-dimethylcarbamate?
The InChIKey is XHQWVNCIYQXUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-28(2)24(30)32-20-11-9-16(22-18(20)7-5-13-26-22)15-17-10-12-21(33-25(31)29(3)4)19-8-6-14-27-23(17)19/h5-14H,15H2,1-4H3.
What are the key properties of [8-[[5-(dimethylcarbamoyloxy)quinolin-8-yl]methyl]quinolin-5-yl] N,N-dimethylcarbamate?
[8-[[5-(dimethylcarbamoyloxy)quinolin-8-yl]methyl]quinolin-5-yl] N,N-dimethylcarbamate has a molecular weight of 444.49 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[[5-(dimethylcarbamoyloxy)quinolin-8-yl]methyl]quinolin-5-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 140575764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).