N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide;carbon dioxide

C25H27N3O5 — CID 123665157

IUPACN-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide;carbon dioxide
SMILESCCC(COc1cccc2nc(C)cc(N)c12)NC(=O)c1cccc2c1OCCC2.O=C=O
InChIInChI=1S/C24H27N3O3.CO2/c1-3-17(27-24(28)18-9-4-7-16-8-6-12-29-23(16)18)14-30-21-11-5-10-20-22(21)19(25)13-15(2)26-20;2-1-3/h4-5,7,9-11,13,17H,3,6,8,12,14H2,1-2H3,(H2,25,26)(H,27,28);
InChIKeyQBMWOPMYOJRUGA-UHFFFAOYSA-N
MW449.51 g/mol
LogP3.45
Rot. Bonds6

About N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide;carbon dioxide

N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide;carbon dioxide (PubChem CID 123665157) has the molecular formula C25H27N3O5 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide;carbon dioxide.

Molecular Properties

Compound NameN-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide;carbon dioxide
PubChem CID123665157
Molecular FormulaC25H27N3O5
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC NameN-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide;carbon dioxide
SMILESCCC(COc1cccc2nc(C)cc(N)c12)NC(=O)c1cccc2c1OCCC2.O=C=O
InChIInChI=1S/C24H27N3O3.CO2/c1-3-17(27-24(28)18-9-4-7-16-8-6-12-29-23(16)18)14-30-21-11-5-10-20-22(21)19(25)13-15(2)26-20;2-1-3/h4-5,7,9-11,13,17H,3,6,8,12,14H2,1-2H3,(H2,25,26)(H,27,28);
InChIKeyQBMWOPMYOJRUGA-UHFFFAOYSA-N
XLogP3.45
TPSA120.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide;carbon dioxide?
The IUPAC name of N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide;carbon dioxide (CID 123665157) is N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide;carbon dioxide.
What is the SMILES notation for N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide;carbon dioxide?
The canonical SMILES for N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide;carbon dioxide is CCC(COc1cccc2nc(C)cc(N)c12)NC(=O)c1cccc2c1OCCC2.O=C=O.
What is the InChIKey of N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide;carbon dioxide?
The InChIKey is QBMWOPMYOJRUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3.CO2/c1-3-17(27-24(28)18-9-4-7-16-8-6-12-29-23(16)18)14-30-21-11-5-10-20-22(21)19(25)13-15(2)26-20;2-1-3/h4-5,7,9-11,13,17H,3,6,8,12,14H2,1-2H3,(H2,25,26)(H,27,28);.
What are the key properties of N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide;carbon dioxide?
N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide;carbon dioxide has a molecular weight of 449.51 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide;carbon dioxide is sourced from PubChem (CID 123665157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).