4-[4-amino-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-6,8-difluoroquinazolin-7-yl]naphthalen-2-ol

C25H24F2N4O2 — CID 170366765

IUPAC4-[4-amino-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-6,8-difluoroquinazolin-7-yl]naphthalen-2-ol
SMILESCN(C)CC1(COc2nc(N)c3cc(F)c(-c4cc(O)cc5ccccc45)c(F)c3n2)CC1
InChIInChI=1S/C25H24F2N4O2/c1-31(2)12-25(7-8-25)13-33-24-29-22-18(23(28)30-24)11-19(26)20(21(22)27)17-10-15(32)9-14-5-3-4-6-16(14)17/h3-6,9-11,32H,7-8,12-13H2,1-2H3,(H2,28,29,30)
InChIKeyDRLRWIAZVOGFOM-UHFFFAOYSA-N
MW450.49 g/mol
LogP4.74
Rot. Bonds6

About 4-[4-amino-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-6,8-difluoroquinazolin-7-yl]naphthalen-2-ol

4-[4-amino-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-6,8-difluoroquinazolin-7-yl]naphthalen-2-ol (PubChem CID 170366765) has the molecular formula C25H24F2N4O2 and a molecular weight of 450.49 g/mol. Its IUPAC name is 4-[4-amino-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-6,8-difluoroquinazolin-7-yl]naphthalen-2-ol.

Molecular Properties

Compound Name4-[4-amino-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-6,8-difluoroquinazolin-7-yl]naphthalen-2-ol
PubChem CID170366765
Molecular FormulaC25H24F2N4O2
Molecular Weight450.49 g/mol
Exact Mass450.19
IUPAC Name4-[4-amino-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-6,8-difluoroquinazolin-7-yl]naphthalen-2-ol
SMILESCN(C)CC1(COc2nc(N)c3cc(F)c(-c4cc(O)cc5ccccc45)c(F)c3n2)CC1
InChIInChI=1S/C25H24F2N4O2/c1-31(2)12-25(7-8-25)13-33-24-29-22-18(23(28)30-24)11-19(26)20(21(22)27)17-10-15(32)9-14-5-3-4-6-16(14)17/h3-6,9-11,32H,7-8,12-13H2,1-2H3,(H2,28,29,30)
InChIKeyDRLRWIAZVOGFOM-UHFFFAOYSA-N
XLogP4.74
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[4-amino-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-6,8-difluoroquinazolin-7-yl]naphthalen-2-ol with MolForge

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Related Compounds

4-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-4-(1,5-dimethyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)-6,8-difluoroquinazolin-7-yl]naphthalen-2-ol
CID 175638313
4-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-4-[(3R,5R)-3-ethyl-5-methylpiperazin-1-yl]-6,8-difluoroquinazolin-7-yl]naphthalen-2-ol
CID 175638252
4-[6-chloro-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoro-4-[(1S,5S)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]naphthalen-2-ol
CID 175637187
4-[6-chloro-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoro-4-[3-(2-hydroxypropyl)-5-methylpiperidin-1-yl]quinazolin-7-yl]naphthalen-2-ol
CID 175637182
3-[6-chloro-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoro-7-(3-hydroxynaphthalen-1-yl)quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-2-carboxylic acid
CID 170089466
4-[4-[(4S)-2,5-diazabicyclo[2.2.2]octan-2-yl]-2-[[(1R)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methoxy]-6,8-difluoroquinazolin-7-yl]naphthalen-2-ol
CID 166080624
tert-butyl (1R,5R,6R)-3-[6-chloro-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoro-7-(3-hydroxynaphthalen-1-yl)quinazolin-4-yl]-6-hydroxy-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 171770112
4-[2-[[(1S,5S)-2-(dimethylamino)-1-bicyclo[3.1.0]hexanyl]methoxy]-6,8-difluoro-4-[(1S,5R)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]naphthalen-2-ol
CID 171769980
4-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[(1S)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methoxy]-8-fluoroquinazolin-7-yl]naphthalen-2-ol
CID 166080566
4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[1-[[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]methyl]cyclopropyl]methoxy]-6,8-difluoroquinazolin-7-yl]-5-ethynylnaphthalen-2-ol
CID 170926070
1-[1-[[7-bromo-6,8-difluoro-4-(2,2,2-trifluoroethoxy)quinazolin-2-yl]oxymethyl]cyclopropyl]-N,N-dimethylmethanamine
CID 169126528
2-[[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6,8-difluoro-7-(3-hydroxynaphthalen-1-yl)quinazolin-2-yl]oxymethyl]cyclopropane-1-carboxylic acid
CID 166080593

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-6,8-difluoroquinazolin-7-yl]naphthalen-2-ol?
The IUPAC name of 4-[4-amino-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-6,8-difluoroquinazolin-7-yl]naphthalen-2-ol (CID 170366765) is 4-[4-amino-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-6,8-difluoroquinazolin-7-yl]naphthalen-2-ol.
What is the SMILES notation for 4-[4-amino-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-6,8-difluoroquinazolin-7-yl]naphthalen-2-ol?
The canonical SMILES for 4-[4-amino-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-6,8-difluoroquinazolin-7-yl]naphthalen-2-ol is CN(C)CC1(COc2nc(N)c3cc(F)c(-c4cc(O)cc5ccccc45)c(F)c3n2)CC1.
What is the InChIKey of 4-[4-amino-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-6,8-difluoroquinazolin-7-yl]naphthalen-2-ol?
The InChIKey is DRLRWIAZVOGFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N4O2/c1-31(2)12-25(7-8-25)13-33-24-29-22-18(23(28)30-24)11-19(26)20(21(22)27)17-10-15(32)9-14-5-3-4-6-16(14)17/h3-6,9-11,32H,7-8,12-13H2,1-2H3,(H2,28,29,30).
What are the key properties of 4-[4-amino-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-6,8-difluoroquinazolin-7-yl]naphthalen-2-ol?
4-[4-amino-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-6,8-difluoroquinazolin-7-yl]naphthalen-2-ol has a molecular weight of 450.49 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-6,8-difluoroquinazolin-7-yl]naphthalen-2-ol is sourced from PubChem (CID 170366765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).