1-(3-azabicyclo[3.1.0]hexan-6-yl)-3-isoquinolin-5-ylurea

C15H16N4O — CID 69185205

IUPAC1-(3-azabicyclo[3.1.0]hexan-6-yl)-3-isoquinolin-5-ylurea
SMILESO=C(Nc1cccc2cnccc12)NC1C2CNCC21
InChIInChI=1S/C15H16N4O/c20-15(19-14-11-7-17-8-12(11)14)18-13-3-1-2-9-6-16-5-4-10(9)13/h1-6,11-12,14,17H,7-8H2,(H2,18,19,20)
InChIKeyLEYBPOMMRQYERZ-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.57
Rot. Bonds2

About 1-(3-azabicyclo[3.1.0]hexan-6-yl)-3-isoquinolin-5-ylurea

1-(3-azabicyclo[3.1.0]hexan-6-yl)-3-isoquinolin-5-ylurea (PubChem CID 69185205) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(3-azabicyclo[3.1.0]hexan-6-yl)-3-isoquinolin-5-ylurea.

Molecular Properties

Compound Name1-(3-azabicyclo[3.1.0]hexan-6-yl)-3-isoquinolin-5-ylurea
PubChem CID69185205
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name1-(3-azabicyclo[3.1.0]hexan-6-yl)-3-isoquinolin-5-ylurea
SMILESO=C(Nc1cccc2cnccc12)NC1C2CNCC21
InChIInChI=1S/C15H16N4O/c20-15(19-14-11-7-17-8-12(11)14)18-13-3-1-2-9-6-16-5-4-10(9)13/h1-6,11-12,14,17H,7-8H2,(H2,18,19,20)
InChIKeyLEYBPOMMRQYERZ-UHFFFAOYSA-N
XLogP1.57
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-azabicyclo[3.1.0]hexane-6-carbonyl)-5-chlorophenyl]-3-isoquinolin-5-ylurea
CID 69186040
1-[3-(4-iodophenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]-3-isoquinolin-5-ylurea
CID 25095204
1-isoquinolin-5-yl-3-[3-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]urea
CID 25097760
1-isoquinolin-5-yl-3-[3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]urea
CID 25097484
(3S,4R)-N-isoquinolin-5-yl-4-phenylpyrrolidine-3-carboxamide
CID 156839400
3-(isoquinolin-5-ylcarbamoylamino)propanoic acid
CID 61205972
4-hydroxy-N-isoquinolin-5-ylpyrrolidine-2-carboxamide
CID 43702244
1-isoquinolin-5-yl-3-[3-[2-(trifluoromethoxy)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]urea
CID 25098049
N-isoquinolin-5-ylpiperidine-3-carboxamide
CID 43702210
(3R,4S)-4-(4-fluorophenyl)-N-isoquinolin-5-ylpyrrolidine-3-carboxamide
CID 156839080
1-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-isoquinolin-5-ylurea
CID 94515114
1-cyclopropyl-3-isoquinolin-5-ylthiourea
CID 27012724

Frequently Asked Questions

What is the IUPAC name of 1-(3-azabicyclo[3.1.0]hexan-6-yl)-3-isoquinolin-5-ylurea?
The IUPAC name of 1-(3-azabicyclo[3.1.0]hexan-6-yl)-3-isoquinolin-5-ylurea (CID 69185205) is 1-(3-azabicyclo[3.1.0]hexan-6-yl)-3-isoquinolin-5-ylurea.
What is the SMILES notation for 1-(3-azabicyclo[3.1.0]hexan-6-yl)-3-isoquinolin-5-ylurea?
The canonical SMILES for 1-(3-azabicyclo[3.1.0]hexan-6-yl)-3-isoquinolin-5-ylurea is O=C(Nc1cccc2cnccc12)NC1C2CNCC21.
What is the InChIKey of 1-(3-azabicyclo[3.1.0]hexan-6-yl)-3-isoquinolin-5-ylurea?
The InChIKey is LEYBPOMMRQYERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c20-15(19-14-11-7-17-8-12(11)14)18-13-3-1-2-9-6-16-5-4-10(9)13/h1-6,11-12,14,17H,7-8H2,(H2,18,19,20).
What are the key properties of 1-(3-azabicyclo[3.1.0]hexan-6-yl)-3-isoquinolin-5-ylurea?
1-(3-azabicyclo[3.1.0]hexan-6-yl)-3-isoquinolin-5-ylurea has a molecular weight of 268.32 g/mol, XLogP of 1.57, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azabicyclo[3.1.0]hexan-6-yl)-3-isoquinolin-5-ylurea is sourced from PubChem (CID 69185205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).