N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide

C24H27N3O3 — CID 58460363

IUPACN-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide
SMILESCc1cc(N)c2c(OCC(C)(C)NC(=O)c3cccc4c3OCCC4)cccc2n1
InChIInChI=1S/C24H27N3O3/c1-15-13-18(25)21-19(26-15)10-5-11-20(21)30-14-24(2,3)27-23(28)17-9-4-7-16-8-6-12-29-22(16)17/h4-5,7,9-11,13H,6,8,12,14H2,1-3H3,(H2,25,26)(H,27,28)
InChIKeyISJSFYHDQFYNMM-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.04
Rot. Bonds5

About N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide

N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide (PubChem CID 58460363) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide.

Molecular Properties

Compound NameN-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide
PubChem CID58460363
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide
SMILESCc1cc(N)c2c(OCC(C)(C)NC(=O)c3cccc4c3OCCC4)cccc2n1
InChIInChI=1S/C24H27N3O3/c1-15-13-18(25)21-19(26-15)10-5-11-20(21)30-14-24(2,3)27-23(28)17-9-4-7-16-8-6-12-29-22(16)17/h4-5,7,9-11,13H,6,8,12,14H2,1-3H3,(H2,25,26)(H,27,28)
InChIKeyISJSFYHDQFYNMM-UHFFFAOYSA-N
XLogP4.04
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide?
The IUPAC name of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide (CID 58460363) is N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide.
What is the SMILES notation for N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide?
The canonical SMILES for N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide is Cc1cc(N)c2c(OCC(C)(C)NC(=O)c3cccc4c3OCCC4)cccc2n1.
What is the InChIKey of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide?
The InChIKey is ISJSFYHDQFYNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-15-13-18(25)21-19(26-15)10-5-11-20(21)30-14-24(2,3)27-23(28)17-9-4-7-16-8-6-12-29-22(16)17/h4-5,7,9-11,13H,6,8,12,14H2,1-3H3,(H2,25,26)(H,27,28).
What are the key properties of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide?
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide is sourced from PubChem (CID 58460363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).