1-propyl-3-[2-(1,2,3,4-tetrahydroquinolin-5-yl)propan-2-yl]urea

C16H25N3O — CID 165487476

IUPAC1-propyl-3-[2-(1,2,3,4-tetrahydroquinolin-5-yl)propan-2-yl]urea
SMILESCCCNC(=O)NC(C)(C)c1cccc2c1CCCN2
InChIInChI=1S/C16H25N3O/c1-4-10-18-15(20)19-16(2,3)13-8-5-9-14-12(13)7-6-11-17-14/h5,8-9,17H,4,6-7,10-11H2,1-3H3,(H2,18,19,20)
InChIKeySBQKMJQSANPFMB-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.99
Rot. Bonds4

About 1-propyl-3-[2-(1,2,3,4-tetrahydroquinolin-5-yl)propan-2-yl]urea

1-propyl-3-[2-(1,2,3,4-tetrahydroquinolin-5-yl)propan-2-yl]urea (PubChem CID 165487476) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-propyl-3-[2-(1,2,3,4-tetrahydroquinolin-5-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-propyl-3-[2-(1,2,3,4-tetrahydroquinolin-5-yl)propan-2-yl]urea
PubChem CID165487476
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-propyl-3-[2-(1,2,3,4-tetrahydroquinolin-5-yl)propan-2-yl]urea
SMILESCCCNC(=O)NC(C)(C)c1cccc2c1CCCN2
InChIInChI=1S/C16H25N3O/c1-4-10-18-15(20)19-16(2,3)13-8-5-9-14-12(13)7-6-11-17-14/h5,8-9,17H,4,6-7,10-11H2,1-3H3,(H2,18,19,20)
InChIKeySBQKMJQSANPFMB-UHFFFAOYSA-N
XLogP2.99
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-[2-(1,2,3,4-tetrahydroquinolin-5-yl)propan-2-yl]urea?
The IUPAC name of 1-propyl-3-[2-(1,2,3,4-tetrahydroquinolin-5-yl)propan-2-yl]urea (CID 165487476) is 1-propyl-3-[2-(1,2,3,4-tetrahydroquinolin-5-yl)propan-2-yl]urea.
What is the SMILES notation for 1-propyl-3-[2-(1,2,3,4-tetrahydroquinolin-5-yl)propan-2-yl]urea?
The canonical SMILES for 1-propyl-3-[2-(1,2,3,4-tetrahydroquinolin-5-yl)propan-2-yl]urea is CCCNC(=O)NC(C)(C)c1cccc2c1CCCN2.
What is the InChIKey of 1-propyl-3-[2-(1,2,3,4-tetrahydroquinolin-5-yl)propan-2-yl]urea?
The InChIKey is SBQKMJQSANPFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-10-18-15(20)19-16(2,3)13-8-5-9-14-12(13)7-6-11-17-14/h5,8-9,17H,4,6-7,10-11H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-propyl-3-[2-(1,2,3,4-tetrahydroquinolin-5-yl)propan-2-yl]urea?
1-propyl-3-[2-(1,2,3,4-tetrahydroquinolin-5-yl)propan-2-yl]urea has a molecular weight of 275.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-[2-(1,2,3,4-tetrahydroquinolin-5-yl)propan-2-yl]urea is sourced from PubChem (CID 165487476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).