1-propan-2-yl-3-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]urea

C15H23N3O — CID 81423411

IUPAC1-propan-2-yl-3-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]urea
SMILESCC(C)NC(=O)NCCc1cccc2c1NCCC2
InChIInChI=1S/C15H23N3O/c1-11(2)18-15(19)17-10-8-13-6-3-5-12-7-4-9-16-14(12)13/h3,5-6,11,16H,4,7-10H2,1-2H3,(H2,17,18,19)
InChIKeyCXLPAFADZAMWAW-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.29
Rot. Bonds4

About 1-propan-2-yl-3-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]urea

1-propan-2-yl-3-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]urea (PubChem CID 81423411) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-propan-2-yl-3-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]urea.

Molecular Properties

Compound Name1-propan-2-yl-3-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]urea
PubChem CID81423411
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-propan-2-yl-3-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]urea
SMILESCC(C)NC(=O)NCCc1cccc2c1NCCC2
InChIInChI=1S/C15H23N3O/c1-11(2)18-15(19)17-10-8-13-6-3-5-12-7-4-9-16-14(12)13/h3,5-6,11,16H,4,7-10H2,1-2H3,(H2,17,18,19)
InChIKeyCXLPAFADZAMWAW-UHFFFAOYSA-N
XLogP2.29
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-propan-2-yl-3-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]urea with MolForge

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Related Compounds

1,1-diethyl-3-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]urea
CID 81423135
2-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]cyclopentane-1-carboxamide
CID 107176837
4-methoxy-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]butanamide
CID 81423200
3-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]imidazole-4-carboxamide
CID 103510824
2-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrazole-3-carboxamide
CID 81424217
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine
CID 80648504
1-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrazole-4-carboxamide
CID 81424213
8-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-1,2,3,4-tetrahydroquinoline
CID 81424375
N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]oxane-3-carboxamide
CID 81424224
methyl N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)carbamate
CID 81423829
2-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)acetamide
CID 81423062
4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-2-ol
CID 80650133

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]urea?
The IUPAC name of 1-propan-2-yl-3-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]urea (CID 81423411) is 1-propan-2-yl-3-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]urea.
What is the SMILES notation for 1-propan-2-yl-3-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]urea?
The canonical SMILES for 1-propan-2-yl-3-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]urea is CC(C)NC(=O)NCCc1cccc2c1NCCC2.
What is the InChIKey of 1-propan-2-yl-3-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]urea?
The InChIKey is CXLPAFADZAMWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(2)18-15(19)17-10-8-13-6-3-5-12-7-4-9-16-14(12)13/h3,5-6,11,16H,4,7-10H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-propan-2-yl-3-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]urea?
1-propan-2-yl-3-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]urea has a molecular weight of 261.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]urea is sourced from PubChem (CID 81423411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).