4-(isoquinolin-5-ylcarbamoylamino)-3,4-dihydro-2H-chromene-2-carboxamide

C20H18N4O3 — CID 46182448

IUPAC4-(isoquinolin-5-ylcarbamoylamino)-3,4-dihydro-2H-chromene-2-carboxamide
SMILESNC(=O)C1CC(NC(=O)Nc2cccc3cnccc23)c2ccccc2O1
InChIInChI=1S/C20H18N4O3/c21-19(25)18-10-16(14-5-1-2-7-17(14)27-18)24-20(26)23-15-6-3-4-12-11-22-9-8-13(12)15/h1-9,11,16,18H,10H2,(H2,21,25)(H2,23,24,26)
InChIKeyRQLARBKZASLPRB-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.73
Rot. Bonds3

About 4-(isoquinolin-5-ylcarbamoylamino)-3,4-dihydro-2H-chromene-2-carboxamide

4-(isoquinolin-5-ylcarbamoylamino)-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 46182448) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-(isoquinolin-5-ylcarbamoylamino)-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound Name4-(isoquinolin-5-ylcarbamoylamino)-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID46182448
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name4-(isoquinolin-5-ylcarbamoylamino)-3,4-dihydro-2H-chromene-2-carboxamide
SMILESNC(=O)C1CC(NC(=O)Nc2cccc3cnccc23)c2ccccc2O1
InChIInChI=1S/C20H18N4O3/c21-19(25)18-10-16(14-5-1-2-7-17(14)27-18)24-20(26)23-15-6-3-4-12-11-22-9-8-13(12)15/h1-9,11,16,18H,10H2,(H2,21,25)(H2,23,24,26)
InChIKeyRQLARBKZASLPRB-UHFFFAOYSA-N
XLogP2.73
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-isoquinolin-5-ylurea
CID 94515114
1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-isoquinolin-5-ylurea
CID 53250374
1-[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-3-isoquinolin-5-ylurea
CID 25264620
1-(3-azabicyclo[3.1.0]hexan-6-yl)-3-isoquinolin-5-ylurea
CID 69185205
2-amino-N-isoquinolin-5-ylcyclopropane-1-carboxamide
CID 114995606
1-[(4R)-2,2-dimethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-yl]-3-isoquinolin-5-ylurea
CID 25265198
1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-isoquinolin-5-ylurea
CID 11485180
isoquinolin-5-ylthiourea
CID 1480924
(2R)-5-chloro-N-isoquinolin-5-yl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 39995800
2-amino-N-isoquinolin-5-yl-2-methylpropanamide
CID 61264999
(2S)-2-amino-N-isoquinolin-5-yl-2-phenylacetamide
CID 104897242
1-(1-benzyl-5-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-3-isoquinolin-5-ylurea
CID 10478501

Frequently Asked Questions

What is the IUPAC name of 4-(isoquinolin-5-ylcarbamoylamino)-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of 4-(isoquinolin-5-ylcarbamoylamino)-3,4-dihydro-2H-chromene-2-carboxamide (CID 46182448) is 4-(isoquinolin-5-ylcarbamoylamino)-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for 4-(isoquinolin-5-ylcarbamoylamino)-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for 4-(isoquinolin-5-ylcarbamoylamino)-3,4-dihydro-2H-chromene-2-carboxamide is NC(=O)C1CC(NC(=O)Nc2cccc3cnccc23)c2ccccc2O1.
What is the InChIKey of 4-(isoquinolin-5-ylcarbamoylamino)-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is RQLARBKZASLPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c21-19(25)18-10-16(14-5-1-2-7-17(14)27-18)24-20(26)23-15-6-3-4-12-11-22-9-8-13(12)15/h1-9,11,16,18H,10H2,(H2,21,25)(H2,23,24,26).
What are the key properties of 4-(isoquinolin-5-ylcarbamoylamino)-3,4-dihydro-2H-chromene-2-carboxamide?
4-(isoquinolin-5-ylcarbamoylamino)-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 2.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(isoquinolin-5-ylcarbamoylamino)-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 46182448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).