benzyl N-[2-[4-[(4-methylquinazolin-2-yl)amino]cyclohexyl]ethyl]carbamate

C25H30N4O2 — CID 70995747

IUPACbenzyl N-[2-[4-[(4-methylquinazolin-2-yl)amino]cyclohexyl]ethyl]carbamate
SMILESCc1nc(NC2CCC(CCNC(=O)OCc3ccccc3)CC2)nc2ccccc12
InChIInChI=1S/C25H30N4O2/c1-18-22-9-5-6-10-23(22)29-24(27-18)28-21-13-11-19(12-14-21)15-16-26-25(30)31-17-20-7-3-2-4-8-20/h2-10,19,21H,11-17H2,1H3,(H,26,30)(H,27,28,29)
InChIKeyIXPYBIOTZAKMSY-UHFFFAOYSA-N
MW418.54 g/mol
LogP5.23
Rot. Bonds7

About benzyl N-[2-[4-[(4-methylquinazolin-2-yl)amino]cyclohexyl]ethyl]carbamate

benzyl N-[2-[4-[(4-methylquinazolin-2-yl)amino]cyclohexyl]ethyl]carbamate (PubChem CID 70995747) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is benzyl N-[2-[4-[(4-methylquinazolin-2-yl)amino]cyclohexyl]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[4-[(4-methylquinazolin-2-yl)amino]cyclohexyl]ethyl]carbamate
PubChem CID70995747
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Namebenzyl N-[2-[4-[(4-methylquinazolin-2-yl)amino]cyclohexyl]ethyl]carbamate
SMILESCc1nc(NC2CCC(CCNC(=O)OCc3ccccc3)CC2)nc2ccccc12
InChIInChI=1S/C25H30N4O2/c1-18-22-9-5-6-10-23(22)29-24(27-18)28-21-13-11-19(12-14-21)15-16-26-25(30)31-17-20-7-3-2-4-8-20/h2-10,19,21H,11-17H2,1H3,(H,26,30)(H,27,28,29)
InChIKeyIXPYBIOTZAKMSY-UHFFFAOYSA-N
XLogP5.23
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[[4-[[4-(methylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]carbamate
CID 68847693
N-cyclohexyl-4-methylquinazolin-2-amine
CID 118714792
benzyl 4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxylate
CID 68886825
benzyl N-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]carbamate
CID 171936856
tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl N-[4-[(4-methylquinazolin-2-yl)amino]cyclohexyl]carbamate;cyclohexane-1,4-diamine;methane;4-N-(4-methylquinazolin-2-yl)cyclohexane-1,4-diamine;uranium;vanadium
CID 159806556
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl N-[2-[(3S)-pyrrolidin-3-yl]ethyl]carbamate
CID 97170433
benzyl N-(4-propylcyclohexyl)carbamate
CID 130580975
benzyl N-[2-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)ethyl]carbamate
CID 171936859
benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclobutyl]carbamate
CID 176911085
benzyl N-[2-(9-thiabicyclo[3.3.1]nonan-3-yl)ethyl]carbamate
CID 171936866
2-phenylethyl N-(2-cyclopentylethyl)carbamate
CID 54511060

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[4-[(4-methylquinazolin-2-yl)amino]cyclohexyl]ethyl]carbamate?
The IUPAC name of benzyl N-[2-[4-[(4-methylquinazolin-2-yl)amino]cyclohexyl]ethyl]carbamate (CID 70995747) is benzyl N-[2-[4-[(4-methylquinazolin-2-yl)amino]cyclohexyl]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[4-[(4-methylquinazolin-2-yl)amino]cyclohexyl]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-[4-[(4-methylquinazolin-2-yl)amino]cyclohexyl]ethyl]carbamate is Cc1nc(NC2CCC(CCNC(=O)OCc3ccccc3)CC2)nc2ccccc12.
What is the InChIKey of benzyl N-[2-[4-[(4-methylquinazolin-2-yl)amino]cyclohexyl]ethyl]carbamate?
The InChIKey is IXPYBIOTZAKMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-18-22-9-5-6-10-23(22)29-24(27-18)28-21-13-11-19(12-14-21)15-16-26-25(30)31-17-20-7-3-2-4-8-20/h2-10,19,21H,11-17H2,1H3,(H,26,30)(H,27,28,29).
What are the key properties of benzyl N-[2-[4-[(4-methylquinazolin-2-yl)amino]cyclohexyl]ethyl]carbamate?
benzyl N-[2-[4-[(4-methylquinazolin-2-yl)amino]cyclohexyl]ethyl]carbamate has a molecular weight of 418.54 g/mol, XLogP of 5.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[4-[(4-methylquinazolin-2-yl)amino]cyclohexyl]ethyl]carbamate is sourced from PubChem (CID 70995747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).