N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-7-fluoro-2-methylquinoline-3-carboxamide

C23H23FN2O3 — CID 18126967

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-7-fluoro-2-methylquinoline-3-carboxamide
SMILESCc1nc2cc(F)ccc2cc1C(=O)NC(c1ccc2c(c1)OCCO2)C(C)C
InChIInChI=1S/C23H23FN2O3/c1-13(2)22(16-5-7-20-21(11-16)29-9-8-28-20)26-23(27)18-10-15-4-6-17(24)12-19(15)25-14(18)3/h4-7,10-13,22H,8-9H2,1-3H3,(H,26,27)
InChIKeyIWHPCSAVIPPOPX-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.58
Rot. Bonds4

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-7-fluoro-2-methylquinoline-3-carboxamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-7-fluoro-2-methylquinoline-3-carboxamide (PubChem CID 18126967) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-7-fluoro-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-7-fluoro-2-methylquinoline-3-carboxamide
PubChem CID18126967
Molecular FormulaC23H23FN2O3
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-7-fluoro-2-methylquinoline-3-carboxamide
SMILESCc1nc2cc(F)ccc2cc1C(=O)NC(c1ccc2c(c1)OCCO2)C(C)C
InChIInChI=1S/C23H23FN2O3/c1-13(2)22(16-5-7-20-21(11-16)29-9-8-28-20)26-23(27)18-10-15-4-6-17(24)12-19(15)25-14(18)3/h4-7,10-13,22H,8-9H2,1-3H3,(H,26,27)
InChIKeyIWHPCSAVIPPOPX-UHFFFAOYSA-N
XLogP4.58
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2,4-difluorobenzamide
CID 7671670
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 55387722
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3,5-difluorobenzamide
CID 9193516
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]naphthalene-2-carboxamide
CID 7669638
1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]urea
CID 41439599
ethyl 6-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55600641
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methylbenzamide
CID 18198331
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 84965306
N-[(2S)-1-aminopropan-2-yl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 120504965
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-5-methylpyrazine-2-carboxamide
CID 27676248
2-(2,5-difluorophenyl)sulfanyl-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide
CID 8871200
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,5-difluorobenzamide
CID 78803541

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-7-fluoro-2-methylquinoline-3-carboxamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-7-fluoro-2-methylquinoline-3-carboxamide (CID 18126967) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-7-fluoro-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-7-fluoro-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-7-fluoro-2-methylquinoline-3-carboxamide is Cc1nc2cc(F)ccc2cc1C(=O)NC(c1ccc2c(c1)OCCO2)C(C)C.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-7-fluoro-2-methylquinoline-3-carboxamide?
The InChIKey is IWHPCSAVIPPOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3/c1-13(2)22(16-5-7-20-21(11-16)29-9-8-28-20)26-23(27)18-10-15-4-6-17(24)12-19(15)25-14(18)3/h4-7,10-13,22H,8-9H2,1-3H3,(H,26,27).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-7-fluoro-2-methylquinoline-3-carboxamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-7-fluoro-2-methylquinoline-3-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-7-fluoro-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 18126967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).