1,1-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea

C14H21N3O — CID 110478717

IUPAC1,1-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea
SMILESCN(C)C(=O)NCc1ccc2c(c1)CCCN2C
InChIInChI=1S/C14H21N3O/c1-16(2)14(18)15-10-11-6-7-13-12(9-11)5-4-8-17(13)3/h6-7,9H,4-5,8,10H2,1-3H3,(H,15,18)
InChIKeyVUKONBORBIYGFR-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.84
Rot. Bonds2

About 1,1-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea

1,1-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea (PubChem CID 110478717) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1,1-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea
PubChem CID110478717
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1,1-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea
SMILESCN(C)C(=O)NCc1ccc2c(c1)CCCN2C
InChIInChI=1S/C14H21N3O/c1-16(2)14(18)15-10-11-6-7-13-12(9-11)5-4-8-17(13)3/h6-7,9H,4-5,8,10H2,1-3H3,(H,15,18)
InChIKeyVUKONBORBIYGFR-UHFFFAOYSA-N
XLogP1.84
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
CID 51099812
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea
CID 86870775
N',N'-dimethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethane-1,2-diamine
CID 62072227
3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
CID 51099820
2-ethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butanamide
CID 110481403
2-hydroxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]propanamide
CID 106170985
1,2-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine;hydroiodide
CID 110916628
N,N,2,2-tetramethyl-N'-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propane-1,3-diamine
CID 62096477
ethyl 4-[N'-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111164274
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-5-nitrofuran-2-carboxamide
CID 71935383
2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]oxyacetamide
CID 112672962
2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]-N-propylpropanamide
CID 62097569

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea?
The IUPAC name of 1,1-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea (CID 110478717) is 1,1-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea is CN(C)C(=O)NCc1ccc2c(c1)CCCN2C.
What is the InChIKey of 1,1-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea?
The InChIKey is VUKONBORBIYGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-16(2)14(18)15-10-11-6-7-13-12(9-11)5-4-8-17(13)3/h6-7,9H,4-5,8,10H2,1-3H3,(H,15,18).
What are the key properties of 1,1-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea?
1,1-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea has a molecular weight of 247.34 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea is sourced from PubChem (CID 110478717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).