1-[[2-(difluoromethyl)quinazolin-4-yl]amino]-3-naphthalen-1-yloxypropan-2-ol

C22H19F2N3O2 — CID 56574079

IUPAC1-[[2-(difluoromethyl)quinazolin-4-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
SMILESOC(CNc1nc(C(F)F)nc2ccccc12)COc1cccc2ccccc12
InChIInChI=1S/C22H19F2N3O2/c23-20(24)22-26-18-10-4-3-9-17(18)21(27-22)25-12-15(28)13-29-19-11-5-7-14-6-1-2-8-16(14)19/h1-11,15,20,28H,12-13H2,(H,25,26,27)
InChIKeyBSWCSEFUBSFBHY-UHFFFAOYSA-N
MW395.41 g/mol
LogP4.57
Rot. Bonds7

About 1-[[2-(difluoromethyl)quinazolin-4-yl]amino]-3-naphthalen-1-yloxypropan-2-ol

1-[[2-(difluoromethyl)quinazolin-4-yl]amino]-3-naphthalen-1-yloxypropan-2-ol (PubChem CID 56574079) has the molecular formula C22H19F2N3O2 and a molecular weight of 395.41 g/mol. Its IUPAC name is 1-[[2-(difluoromethyl)quinazolin-4-yl]amino]-3-naphthalen-1-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[[2-(difluoromethyl)quinazolin-4-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
PubChem CID56574079
Molecular FormulaC22H19F2N3O2
Molecular Weight395.41 g/mol
Exact Mass395.14
IUPAC Name1-[[2-(difluoromethyl)quinazolin-4-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
SMILESOC(CNc1nc(C(F)F)nc2ccccc12)COc1cccc2ccccc12
InChIInChI=1S/C22H19F2N3O2/c23-20(24)22-26-18-10-4-3-9-17(18)21(27-22)25-12-15(28)13-29-19-11-5-7-14-6-1-2-8-16(14)19/h1-11,15,20,28H,12-13H2,(H,25,26,27)
InChIKeyBSWCSEFUBSFBHY-UHFFFAOYSA-N
XLogP4.57
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[2-(difluoromethyl)quinazolin-4-yl]amino]-3-naphthalen-1-yloxypropan-2-ol with MolForge

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Related Compounds

1-(4-bromoanilino)-3-naphthalen-1-yloxypropan-2-ol
CID 23884461
1-naphthalen-1-yloxy-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol
CID 3076139
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
1-[2-(2-hydroxy-3-naphthalen-1-yloxypropyl)hydrazinyl]-3-naphthalen-2-yloxypropan-2-ol
CID 170687383
1-[(2-methyl-1-phenylpropan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 22640874
2-(difluoromethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinazolin-4-amine
CID 56553723
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 70482185
N-(2-hydroxy-3-naphthalen-1-yloxypropyl)ethanethioamide
CID 134858225
1-naphthalen-1-yloxy-3-(2,2,3,3,3-pentafluoropropylamino)propan-2-ol
CID 10066392
1-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]urea
CID 95281049
1-(2-benzhydryloxyethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 110193984

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethyl)quinazolin-4-yl]amino]-3-naphthalen-1-yloxypropan-2-ol?
The IUPAC name of 1-[[2-(difluoromethyl)quinazolin-4-yl]amino]-3-naphthalen-1-yloxypropan-2-ol (CID 56574079) is 1-[[2-(difluoromethyl)quinazolin-4-yl]amino]-3-naphthalen-1-yloxypropan-2-ol.
What is the SMILES notation for 1-[[2-(difluoromethyl)quinazolin-4-yl]amino]-3-naphthalen-1-yloxypropan-2-ol?
The canonical SMILES for 1-[[2-(difluoromethyl)quinazolin-4-yl]amino]-3-naphthalen-1-yloxypropan-2-ol is OC(CNc1nc(C(F)F)nc2ccccc12)COc1cccc2ccccc12.
What is the InChIKey of 1-[[2-(difluoromethyl)quinazolin-4-yl]amino]-3-naphthalen-1-yloxypropan-2-ol?
The InChIKey is BSWCSEFUBSFBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O2/c23-20(24)22-26-18-10-4-3-9-17(18)21(27-22)25-12-15(28)13-29-19-11-5-7-14-6-1-2-8-16(14)19/h1-11,15,20,28H,12-13H2,(H,25,26,27).
What are the key properties of 1-[[2-(difluoromethyl)quinazolin-4-yl]amino]-3-naphthalen-1-yloxypropan-2-ol?
1-[[2-(difluoromethyl)quinazolin-4-yl]amino]-3-naphthalen-1-yloxypropan-2-ol has a molecular weight of 395.41 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethyl)quinazolin-4-yl]amino]-3-naphthalen-1-yloxypropan-2-ol is sourced from PubChem (CID 56574079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).