1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-3-[1-(6-methylnaphthalen-2-yl)ethyl]urea

C25H29N3O — CID 135214297

IUPAC1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-3-[1-(6-methylnaphthalen-2-yl)ethyl]urea
SMILESCc1ccc2cc(C(C)NC(=O)NCC3Cc4ccccc4CN3C)ccc2c1
InChIInChI=1S/C25H29N3O/c1-17-8-9-22-13-19(10-11-21(22)12-17)18(2)27-25(29)26-15-24-14-20-6-4-5-7-23(20)16-28(24)3/h4-13,18,24H,14-16H2,1-3H3,(H2,26,27,29)
InChIKeyANPTUSATKBIXEF-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.57
Rot. Bonds4

About 1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-3-[1-(6-methylnaphthalen-2-yl)ethyl]urea

1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-3-[1-(6-methylnaphthalen-2-yl)ethyl]urea (PubChem CID 135214297) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is 1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-3-[1-(6-methylnaphthalen-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-3-[1-(6-methylnaphthalen-2-yl)ethyl]urea
PubChem CID135214297
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-3-[1-(6-methylnaphthalen-2-yl)ethyl]urea
SMILESCc1ccc2cc(C(C)NC(=O)NCC3Cc4ccccc4CN3C)ccc2c1
InChIInChI=1S/C25H29N3O/c1-17-8-9-22-13-19(10-11-21(22)12-17)18(2)27-25(29)26-15-24-14-20-6-4-5-7-23(20)16-28(24)3/h4-13,18,24H,14-16H2,1-3H3,(H2,26,27,29)
InChIKeyANPTUSATKBIXEF-UHFFFAOYSA-N
XLogP4.57
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-3-[1-(6-methylnaphthalen-2-yl)ethyl]urea with MolForge

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Related Compounds

1-[(1R)-1-naphthalen-2-ylethyl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
CID 135213793
1-[1-(1-benzothiophen-2-yl)propan-2-yl]-3-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]urea
CID 135214303
1-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)propan-2-yl]-3-[[(3S)-7-hydroxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]urea
CID 135213804
1-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-3-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]urea
CID 135214409
1-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-3-(2-methyl-1-phenylpropan-2-yl)urea
CID 135214421
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]acetamide
CID 125172240
methyl 2-[2-(1-naphthalen-2-ylethylamino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 112769331
2-(cyclopropylmethylamino)-N-(1-naphthalen-2-ylethyl)acetamide;hydrochloride
CID 119685956
2,4-dimethyl-N-(1-naphthalen-2-ylethyl)benzamide
CID 43011349
1-(cyclopropylmethyl)-3-[1-(1-methylindol-6-yl)ethyl]urea
CID 155958370
1-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-3-(piperidin-4-ylmethyl)urea
CID 126441251
(3R)-2-methyl-3-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline
CID 140914018

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-3-[1-(6-methylnaphthalen-2-yl)ethyl]urea?
The IUPAC name of 1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-3-[1-(6-methylnaphthalen-2-yl)ethyl]urea (CID 135214297) is 1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-3-[1-(6-methylnaphthalen-2-yl)ethyl]urea.
What is the SMILES notation for 1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-3-[1-(6-methylnaphthalen-2-yl)ethyl]urea?
The canonical SMILES for 1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-3-[1-(6-methylnaphthalen-2-yl)ethyl]urea is Cc1ccc2cc(C(C)NC(=O)NCC3Cc4ccccc4CN3C)ccc2c1.
What is the InChIKey of 1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-3-[1-(6-methylnaphthalen-2-yl)ethyl]urea?
The InChIKey is ANPTUSATKBIXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-17-8-9-22-13-19(10-11-21(22)12-17)18(2)27-25(29)26-15-24-14-20-6-4-5-7-23(20)16-28(24)3/h4-13,18,24H,14-16H2,1-3H3,(H2,26,27,29).
What are the key properties of 1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-3-[1-(6-methylnaphthalen-2-yl)ethyl]urea?
1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-3-[1-(6-methylnaphthalen-2-yl)ethyl]urea has a molecular weight of 387.53 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-3-[1-(6-methylnaphthalen-2-yl)ethyl]urea is sourced from PubChem (CID 135214297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).