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

C34H37F2N5O2 — CID 171769980

IUPAC4-[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
SMILESCN(C)C1CC[C@H]2C[C@@]12COc1nc(N2C[C@H]3CC[C@@](C)(C2)N3)c2cc(F)c(-c3cc(O)cc4ccccc34)c(F)c2n1
InChIInChI=1S/C34H37F2N5O2/c1-33-11-10-21(39-33)16-41(17-33)31-25-14-26(35)28(24-13-22(42)12-19-6-4-5-7-23(19)24)29(36)30(25)37-32(38-31)43-18-34-15-20(34)8-9-27(34)40(2)3/h4-7,12-14,20-21,27,39,42H,8-11,15-18H2,1-3H3/t20-,21+,27?,33-,34-/m0/s1
InChIKeyWQPAWNDJPKAWCG-HLIMJOABSA-N
MW585.70 g/mol
LogP5.87
Rot. Bonds6

About 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

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 (PubChem CID 171769980) has the molecular formula C34H37F2N5O2 and a molecular weight of 585.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID171769980
Molecular FormulaC34H37F2N5O2
Molecular Weight585.70 g/mol
Exact Mass585.29
IUPAC Name4-[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
SMILESCN(C)C1CC[C@H]2C[C@@]12COc1nc(N2C[C@H]3CC[C@@](C)(C2)N3)c2cc(F)c(-c3cc(O)cc4ccccc34)c(F)c2n1
InChIInChI=1S/C34H37F2N5O2/c1-33-11-10-21(39-33)16-41(17-33)31-25-14-26(35)28(24-13-22(42)12-19-6-4-5-7-23(19)24)29(36)30(25)37-32(38-31)43-18-34-15-20(34)8-9-27(34)40(2)3/h4-7,12-14,20-21,27,39,42H,8-11,15-18H2,1-3H3/t20-,21+,27?,33-,34-/m0/s1
InChIKeyWQPAWNDJPKAWCG-HLIMJOABSA-N
XLogP5.87
TPSA73.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.70
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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-[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-[6-chloro-8-fluoro-4-[(1S)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-[[(3R)-pyrrolidin-3-yl]methoxy]quinazolin-7-yl]naphthalen-2-ol
CID 166080731
4-[2-[[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methoxy]-6,8-difluoro-4-[(1S,5R)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]-5-ethynylnaphthalen-2-ol
CID 171769932
4-[6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1R,5R)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]-5-fluoronaphthalen-2-ol
CID 175637487
5-(difluoromethyl)-4-[6,8-difluoro-4-[(1S)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazolin-7-yl]naphthalen-2-ol
CID 175636935
4-[6,8-difluoro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1R,5R)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]-5-ethynylnaphthalen-2-ol
CID 175638732
5-chloro-4-[6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1S)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]-7-fluoronaphthalen-2-ol
CID 175637468
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-[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
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)C1CC[C@H]2C[C@@]12COc1nc(N2C[C@H]3CC[C@@](C)(C2)N3)c2cc(F)c(-c3cc(O)cc4ccccc34)c(F)c2n1.
What is the InChIKey of 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?
The InChIKey is WQPAWNDJPKAWCG-HLIMJOABSA-N. The full InChI is InChI=1S/C34H37F2N5O2/c1-33-11-10-21(39-33)16-41(17-33)31-25-14-26(35)28(24-13-22(42)12-19-6-4-5-7-23(19)24)29(36)30(25)37-32(38-31)43-18-34-15-20(34)8-9-27(34)40(2)3/h4-7,12-14,20-21,27,39,42H,8-11,15-18H2,1-3H3/t20-,21+,27?,33-,34-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 585.70 g/mol, XLogP of 5.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171769980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).