4-N-[(2S)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine

C19H22F2N4O3 — CID 122446103

IUPAC4-N-[(2S)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine
SMILESCOc1cc2c(N[C@@H](C)COC(F)F)c(N)cnc2cc1-c1c(C)noc1C
InChIInChI=1S/C19H22F2N4O3/c1-9(8-27-19(20)21)24-18-12-6-16(26-4)13(5-15(12)23-7-14(18)22)17-10(2)25-28-11(17)3/h5-7,9,19H,8,22H2,1-4H3,(H,23,24)/t9-/m0/s1
InChIKeyUKQWDAXFMHXNLL-VIFPVBQESA-N
MW392.41 g/mol
LogP4.14
Rot. Bonds7

About 4-N-[(2S)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine

4-N-[(2S)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine (PubChem CID 122446103) has the molecular formula C19H22F2N4O3 and a molecular weight of 392.41 g/mol. Its IUPAC name is 4-N-[(2S)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-[(2S)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine
PubChem CID122446103
Molecular FormulaC19H22F2N4O3
Molecular Weight392.41 g/mol
Exact Mass392.17
IUPAC Name4-N-[(2S)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine
SMILESCOc1cc2c(N[C@@H](C)COC(F)F)c(N)cnc2cc1-c1c(C)noc1C
InChIInChI=1S/C19H22F2N4O3/c1-9(8-27-19(20)21)24-18-12-6-16(26-4)13(5-15(12)23-7-14(18)22)17-10(2)25-28-11(17)3/h5-7,9,19H,8,22H2,1-4H3,(H,23,24)/t9-/m0/s1
InChIKeyUKQWDAXFMHXNLL-VIFPVBQESA-N
XLogP4.14
TPSA95.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine
CID 122446120
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[[(2R)-1-methoxypropan-2-yl]amino]quinoline-3-carboxylic acid
CID 90222565
4-N-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine
CID 144820395
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-N-[2-(6-methyl-2-pyridinyl)ethyl]quinoline-3,4-diamine
CID 122705107
3-(1-aminoethenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinolin-4-amine
CID 89426764
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-(2-methoxyethyl)-3-nitroquinolin-4-amine;ethane
CID 145190462
4-(benzylamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3-carboxamide
CID 70691698
4-[2-cyclopentyl-1-[2-(difluoromethoxy)ethyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 166751554
4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(2R)-1-methoxypropan-2-yl]imidazo[4,5-c]quinolin-2-yl]morpholine
CID 164621563
4-[8-methoxy-1-[(2R)-1-methoxypropan-2-yl]-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;hydrochloride
CID 71259053
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3-(2-methoxyethyl)-1-propan-2-ylimidazo[4,5-c]quinolin-2-one
CID 123985108
4-[[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methylimidazo[4,5-c]quinolin-2-yl]methyl]morpholine
CID 134169088

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2S)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine?
The IUPAC name of 4-N-[(2S)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine (CID 122446103) is 4-N-[(2S)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine.
What is the SMILES notation for 4-N-[(2S)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine?
The canonical SMILES for 4-N-[(2S)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine is COc1cc2c(N[C@@H](C)COC(F)F)c(N)cnc2cc1-c1c(C)noc1C.
What is the InChIKey of 4-N-[(2S)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine?
The InChIKey is UKQWDAXFMHXNLL-VIFPVBQESA-N. The full InChI is InChI=1S/C19H22F2N4O3/c1-9(8-27-19(20)21)24-18-12-6-16(26-4)13(5-15(12)23-7-14(18)22)17-10(2)25-28-11(17)3/h5-7,9,19H,8,22H2,1-4H3,(H,23,24)/t9-/m0/s1.
What are the key properties of 4-N-[(2S)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine?
4-N-[(2S)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine has a molecular weight of 392.41 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2S)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine is sourced from PubChem (CID 122446103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).