N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;2,2,2-trifluoroacetic acid

C30H36F3N5O3 — CID 162337569

IUPACN-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)c1nc(NC2CCC(CNC(=O)C3CCc4ccccc4C3)CC2)nc2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C28H35N5O.C2HF3O2/c1-33(2)26-24-9-5-6-10-25(24)31-28(32-26)30-23-15-11-19(12-16-23)18-29-27(34)22-14-13-20-7-3-4-8-21(20)17-22;3-2(4,5)1(6)7/h3-10,19,22-23H,11-18H2,1-2H3,(H,29,34)(H,30,31,32);(H,6,7)
InChIKeyRMZVFOURGRYXKQ-UHFFFAOYSA-N
MW571.64 g/mol
LogP5.22
Rot. Bonds6

About N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;2,2,2-trifluoroacetic acid

N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 162337569) has the molecular formula C30H36F3N5O3 and a molecular weight of 571.64 g/mol. Its IUPAC name is N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID162337569
Molecular FormulaC30H36F3N5O3
Molecular Weight571.64 g/mol
Exact Mass571.28
IUPAC NameN-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)c1nc(NC2CCC(CNC(=O)C3CCc4ccccc4C3)CC2)nc2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C28H35N5O.C2HF3O2/c1-33(2)26-24-9-5-6-10-25(24)31-28(32-26)30-23-15-11-19(12-16-23)18-29-27(34)22-14-13-20-7-3-4-8-21(20)17-22;3-2(4,5)1(6)7/h3-10,19,22-23H,11-18H2,1-2H3,(H,29,34)(H,30,31,32);(H,6,7)
InChIKeyRMZVFOURGRYXKQ-UHFFFAOYSA-N
XLogP5.22
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.64
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-2-methoxy-2-phenylacetamide;2,2,2-trifluoroacetic acid
CID 162309203
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-2,3,4,5-tetrafluorobenzamide;2,2,2-trifluoroacetic acid
CID 157295815
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-4-fluoro-3-(trifluoromethyl)benzamide;2,2,2-trifluoroacetic acid
CID 158022606
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-4-hydroxy-3-methoxybenzamide;2,2,2-trifluoroacetic acid
CID 157166205
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-2-(trifluoromethoxy)benzamide
CID 10228060
5-(4-chlorophenyl)-N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid
CID 161077200
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]quinoline-3-carboxamide;methane
CID 157175522
1-benzhydryl-3-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]urea
CID 69473453
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]nonanamide
CID 142230266
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-2-[2-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 68847499
1-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-3-[(2-fluorophenyl)methyl]urea
CID 69476095
1-(cyclohexylmethyl)-3-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]thiourea
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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;2,2,2-trifluoroacetic acid (CID 162337569) is N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;2,2,2-trifluoroacetic acid is CN(C)c1nc(NC2CCC(CNC(=O)C3CCc4ccccc4C3)CC2)nc2ccccc12.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is RMZVFOURGRYXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O.C2HF3O2/c1-33(2)26-24-9-5-6-10-25(24)31-28(32-26)30-23-15-11-19(12-16-23)18-29-27(34)22-14-13-20-7-3-4-8-21(20)17-22;3-2(4,5)1(6)7/h3-10,19,22-23H,11-18H2,1-2H3,(H,29,34)(H,30,31,32);(H,6,7).
What are the key properties of N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;2,2,2-trifluoroacetic acid?
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 571.64 g/mol, XLogP of 5.22, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162337569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).