tert-butyl N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]carbamate

C23H35N5O2 — CID 68846239

IUPACtert-butyl N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]carbamate
SMILESCN(C)c1nc(NCC2CCC(CNC(=O)OC(C)(C)C)CC2)nc2ccccc12
InChIInChI=1S/C23H35N5O2/c1-23(2,3)30-22(29)25-15-17-12-10-16(11-13-17)14-24-21-26-19-9-7-6-8-18(19)20(27-21)28(4)5/h6-9,16-17H,10-15H2,1-5H3,(H,25,29)(H,24,26,27)
InChIKeyLKRXQPMLQBWYCK-UHFFFAOYSA-N
MW413.57 g/mol
LogP4.44
Rot. Bonds6

About tert-butyl N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]carbamate

tert-butyl N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]carbamate (PubChem CID 68846239) has the molecular formula C23H35N5O2 and a molecular weight of 413.57 g/mol. Its IUPAC name is tert-butyl N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]carbamate
PubChem CID68846239
Molecular FormulaC23H35N5O2
Molecular Weight413.57 g/mol
Exact Mass413.28
IUPAC Nametert-butyl N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]carbamate
SMILESCN(C)c1nc(NCC2CCC(CNC(=O)OC(C)(C)C)CC2)nc2ccccc12
InChIInChI=1S/C23H35N5O2/c1-23(2,3)30-22(29)25-15-17-12-10-16(11-13-17)14-24-21-26-19-9-7-6-8-18(19)20(27-21)28(4)5/h6-9,16-17H,10-15H2,1-5H3,(H,25,29)(H,24,26,27)
InChIKeyLKRXQPMLQBWYCK-UHFFFAOYSA-N
XLogP4.44
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]carbamate with MolForge

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Related Compounds

4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide
CID 68850271
3-chloro-N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]-2-fluorobenzamide
CID 142228789
2-(cyclohexen-1-yl)-N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]acetamide
CID 142228886
N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]-2-fluoro-5-(trifluoromethyl)benzamide
CID 142228779
N-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]cyclohexanecarboxamide
CID 142228752
4-N,4-N-dimethyl-2-N-[[4-[[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)methylamino]methyl]cyclohexyl]methyl]quinazoline-2,4-diamine
CID 142229651
4-N,4-N-dimethyl-2-N-[[4-[(naphthalen-1-ylsulfanylamino)methyl]cyclohexyl]methyl]quinazoline-2,4-diamine
CID 142230861
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]quinoline-3-carboxamide;methane
CID 157175522
1-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]-8-thiophen-2-yloctan-4-one
CID 142228549
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]nonanamide
CID 142230266
1-benzhydryl-3-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]urea
CID 69473453
4-N,4-N-dimethyl-2-N-[[4-[[4-[(E)-2-phenylethenyl]phenyl]methylamino]cyclohexyl]methyl]quinazoline-2,4-diamine
CID 142230928

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]carbamate (CID 68846239) is tert-butyl N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]carbamate is CN(C)c1nc(NCC2CCC(CNC(=O)OC(C)(C)C)CC2)nc2ccccc12.
What is the InChIKey of tert-butyl N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]carbamate?
The InChIKey is LKRXQPMLQBWYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O2/c1-23(2,3)30-22(29)25-15-17-12-10-16(11-13-17)14-24-21-26-19-9-7-6-8-18(19)20(27-21)28(4)5/h6-9,16-17H,10-15H2,1-5H3,(H,25,29)(H,24,26,27).
What are the key properties of tert-butyl N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]carbamate?
tert-butyl N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]carbamate has a molecular weight of 413.57 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]carbamate is sourced from PubChem (CID 68846239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).