tert-butyl N-cyclohexyl-N-[(4-ethyl-6-pyridin-4-ylquinazolin-2-yl)methyl]carbamate

C27H34N4O2 — CID 121255926

IUPACtert-butyl N-cyclohexyl-N-[(4-ethyl-6-pyridin-4-ylquinazolin-2-yl)methyl]carbamate
SMILESCCc1nc(CN(C(=O)OC(C)(C)C)C2CCCCC2)nc2ccc(-c3ccncc3)cc12
InChIInChI=1S/C27H34N4O2/c1-5-23-22-17-20(19-13-15-28-16-14-19)11-12-24(22)30-25(29-23)18-31(21-9-7-6-8-10-21)26(32)33-27(2,3)4/h11-17,21H,5-10,18H2,1-4H3
InChIKeyXIWSCJNQRRFFME-UHFFFAOYSA-N
MW446.60 g/mol
LogP6.32
Rot. Bonds5

About tert-butyl N-cyclohexyl-N-[(4-ethyl-6-pyridin-4-ylquinazolin-2-yl)methyl]carbamate

tert-butyl N-cyclohexyl-N-[(4-ethyl-6-pyridin-4-ylquinazolin-2-yl)methyl]carbamate (PubChem CID 121255926) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is tert-butyl N-cyclohexyl-N-[(4-ethyl-6-pyridin-4-ylquinazolin-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclohexyl-N-[(4-ethyl-6-pyridin-4-ylquinazolin-2-yl)methyl]carbamate
PubChem CID121255926
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Nametert-butyl N-cyclohexyl-N-[(4-ethyl-6-pyridin-4-ylquinazolin-2-yl)methyl]carbamate
SMILESCCc1nc(CN(C(=O)OC(C)(C)C)C2CCCCC2)nc2ccc(-c3ccncc3)cc12
InChIInChI=1S/C27H34N4O2/c1-5-23-22-17-20(19-13-15-28-16-14-19)11-12-24(22)30-25(29-23)18-31(21-9-7-6-8-10-21)26(32)33-27(2,3)4/h11-17,21H,5-10,18H2,1-4H3
InChIKeyXIWSCJNQRRFFME-UHFFFAOYSA-N
XLogP6.32
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.60
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-cyclohexyl-N-[(4-ethyl-6-pyridin-4-ylquinazolin-2-yl)methyl]carbamate with MolForge

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Related Compounds

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tert-butyl N-[[4-[4-[[(4-benzylphenyl)carbamoyl-(pyridin-3-ylmethyl)amino]methyl]phenyl]phenyl]methyl]-N-cyclohexylcarbamate
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tert-butyl N-cycloheptyl-N-[[4-[4-[[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]methyl]phenyl]phenyl]methyl]carbamate
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2-(cyclohexylmethyl)-6-pyridin-4-ylquinoline-4-carboxamide
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tert-butyl N-cyclohexyl-N-[[4-[4-[[[4-(4-fluorophenyl)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]methyl]phenyl]phenyl]methyl]carbamate
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tert-butyl N-cyclohexyl-N-(2-hydroxy-2-methylbutyl)carbamate
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tert-butyl N-cyclobutyl-N-[(4-fluorothiophen-2-yl)methyl]carbamate
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tert-butyl N-methyl-N-[4-[(2-methyl-5-pyridin-4-ylphenyl)methylamino]cyclohexyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclohexyl-N-[(4-ethyl-6-pyridin-4-ylquinazolin-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-cyclohexyl-N-[(4-ethyl-6-pyridin-4-ylquinazolin-2-yl)methyl]carbamate (CID 121255926) is tert-butyl N-cyclohexyl-N-[(4-ethyl-6-pyridin-4-ylquinazolin-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-cyclohexyl-N-[(4-ethyl-6-pyridin-4-ylquinazolin-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-cyclohexyl-N-[(4-ethyl-6-pyridin-4-ylquinazolin-2-yl)methyl]carbamate is CCc1nc(CN(C(=O)OC(C)(C)C)C2CCCCC2)nc2ccc(-c3ccncc3)cc12.
What is the InChIKey of tert-butyl N-cyclohexyl-N-[(4-ethyl-6-pyridin-4-ylquinazolin-2-yl)methyl]carbamate?
The InChIKey is XIWSCJNQRRFFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-5-23-22-17-20(19-13-15-28-16-14-19)11-12-24(22)30-25(29-23)18-31(21-9-7-6-8-10-21)26(32)33-27(2,3)4/h11-17,21H,5-10,18H2,1-4H3.
What are the key properties of tert-butyl N-cyclohexyl-N-[(4-ethyl-6-pyridin-4-ylquinazolin-2-yl)methyl]carbamate?
tert-butyl N-cyclohexyl-N-[(4-ethyl-6-pyridin-4-ylquinazolin-2-yl)methyl]carbamate has a molecular weight of 446.60 g/mol, XLogP of 6.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclohexyl-N-[(4-ethyl-6-pyridin-4-ylquinazolin-2-yl)methyl]carbamate is sourced from PubChem (CID 121255926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).