tert-butyl 4-[2-(4-methyl-2-phenylimidazo[4,5-c]quinolin-1-yl)ethyl]piperidine-1-carboxylate

C29H34N4O2 — CID 12972791

IUPACtert-butyl 4-[2-(4-methyl-2-phenylimidazo[4,5-c]quinolin-1-yl)ethyl]piperidine-1-carboxylate
SMILESCc1nc2ccccc2c2c1nc(-c1ccccc1)n2CCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C29H34N4O2/c1-20-25-26(23-12-8-9-13-24(23)30-20)33(27(31-25)22-10-6-5-7-11-22)19-16-21-14-17-32(18-15-21)28(34)35-29(2,3)4/h5-13,21H,14-19H2,1-4H3
InChIKeyVFLQQXGRWRNPDV-UHFFFAOYSA-N
MW470.62 g/mol
LogP6.60
Rot. Bonds4

About tert-butyl 4-[2-(4-methyl-2-phenylimidazo[4,5-c]quinolin-1-yl)ethyl]piperidine-1-carboxylate

tert-butyl 4-[2-(4-methyl-2-phenylimidazo[4,5-c]quinolin-1-yl)ethyl]piperidine-1-carboxylate (PubChem CID 12972791) has the molecular formula C29H34N4O2 and a molecular weight of 470.62 g/mol. Its IUPAC name is tert-butyl 4-[2-(4-methyl-2-phenylimidazo[4,5-c]quinolin-1-yl)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(4-methyl-2-phenylimidazo[4,5-c]quinolin-1-yl)ethyl]piperidine-1-carboxylate
PubChem CID12972791
Molecular FormulaC29H34N4O2
Molecular Weight470.62 g/mol
Exact Mass470.27
IUPAC Nametert-butyl 4-[2-(4-methyl-2-phenylimidazo[4,5-c]quinolin-1-yl)ethyl]piperidine-1-carboxylate
SMILESCc1nc2ccccc2c2c1nc(-c1ccccc1)n2CCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C29H34N4O2/c1-20-25-26(23-12-8-9-13-24(23)30-20)33(27(31-25)22-10-6-5-7-11-22)19-16-21-14-17-32(18-15-21)28(34)35-29(2,3)4/h5-13,21H,14-19H2,1-4H3
InChIKeyVFLQQXGRWRNPDV-UHFFFAOYSA-N
XLogP6.60
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[2-(2,4,5-trimethylimidazol-1-yl)ethyl]piperidine-1-carboxylate
CID 23084142
tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate
CID 58041388
6-methyl-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-5-phenylmethoxypyrimidine-4-carboxylic acid
CID 67156195
tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate
CID 58808100
tert-butyl 4-(2-methylquinolin-5-yl)piperidine-1-carboxylate
CID 59141009
tert-butyl 4-(2-benzoyloxyethyl)piperidine-1-carboxylate
CID 129162455
tert-butyl 3-(anilinomethyl)pyrrolidine-1-carboxylate
CID 85223002
tert-butyl 4-(2-benzoyloxy-2,2-dideuterioethyl)piperidine-1-carboxylate
CID 155269118
tert-butyl 4-phenacylpiperidine-1-carboxylate
CID 137373276
tert-butyl 4-[(1,3-benzoxazol-2-ylamino)methyl]piperidine-1-carboxylate
CID 71630205
tert-butyl 4-[2-[(5-methyl-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaen-3-yl)sulfanyl]ethyl]piperidine-1-carboxylate
CID 67671400
4-[5-methyl-1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propyl]-1,2,4-triazol-3-yl]benzoic acid
CID 167508485

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(4-methyl-2-phenylimidazo[4,5-c]quinolin-1-yl)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(4-methyl-2-phenylimidazo[4,5-c]quinolin-1-yl)ethyl]piperidine-1-carboxylate (CID 12972791) is tert-butyl 4-[2-(4-methyl-2-phenylimidazo[4,5-c]quinolin-1-yl)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(4-methyl-2-phenylimidazo[4,5-c]quinolin-1-yl)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(4-methyl-2-phenylimidazo[4,5-c]quinolin-1-yl)ethyl]piperidine-1-carboxylate is Cc1nc2ccccc2c2c1nc(-c1ccccc1)n2CCC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-(4-methyl-2-phenylimidazo[4,5-c]quinolin-1-yl)ethyl]piperidine-1-carboxylate?
The InChIKey is VFLQQXGRWRNPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O2/c1-20-25-26(23-12-8-9-13-24(23)30-20)33(27(31-25)22-10-6-5-7-11-22)19-16-21-14-17-32(18-15-21)28(34)35-29(2,3)4/h5-13,21H,14-19H2,1-4H3.
What are the key properties of tert-butyl 4-[2-(4-methyl-2-phenylimidazo[4,5-c]quinolin-1-yl)ethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-(4-methyl-2-phenylimidazo[4,5-c]quinolin-1-yl)ethyl]piperidine-1-carboxylate has a molecular weight of 470.62 g/mol, XLogP of 6.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(4-methyl-2-phenylimidazo[4,5-c]quinolin-1-yl)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 12972791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).