tert-butyl N-[1-(7-methylquinazolin-4-yl)piperidin-4-yl]carbamate

C19H26N4O2 — CID 143371287

IUPACtert-butyl N-[1-(7-methylquinazolin-4-yl)piperidin-4-yl]carbamate
SMILESCc1ccc2c(N3CCC(NC(=O)OC(C)(C)C)CC3)ncnc2c1
InChIInChI=1S/C19H26N4O2/c1-13-5-6-15-16(11-13)20-12-21-17(15)23-9-7-14(8-10-23)22-18(24)25-19(2,3)4/h5-6,11-12,14H,7-10H2,1-4H3,(H,22,24)
InChIKeyMJVBLGDDLILVNR-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.43
Rot. Bonds2

About tert-butyl N-[1-(7-methylquinazolin-4-yl)piperidin-4-yl]carbamate

tert-butyl N-[1-(7-methylquinazolin-4-yl)piperidin-4-yl]carbamate (PubChem CID 143371287) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is tert-butyl N-[1-(7-methylquinazolin-4-yl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(7-methylquinazolin-4-yl)piperidin-4-yl]carbamate
PubChem CID143371287
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Nametert-butyl N-[1-(7-methylquinazolin-4-yl)piperidin-4-yl]carbamate
SMILESCc1ccc2c(N3CCC(NC(=O)OC(C)(C)C)CC3)ncnc2c1
InChIInChI=1S/C19H26N4O2/c1-13-5-6-15-16(11-13)20-12-21-17(15)23-9-7-14(8-10-23)22-18(24)25-19(2,3)4/h5-6,11-12,14H,7-10H2,1-4H3,(H,22,24)
InChIKeyMJVBLGDDLILVNR-UHFFFAOYSA-N
XLogP3.43
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(3R)-1-(7-nitroquinazolin-4-yl)pyrrolidin-3-yl]carbamate
CID 163288750
2-[4-(4-aminopiperidin-1-yl)-7-methylquinazolin-2-yl]-3-fluorophenol;tert-butyl N-[1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]carbamate
CID 159190379
tert-butyl N-[1-(6-aminoisoquinolin-1-yl)piperidin-4-yl]carbamate
CID 138048047
2-(4-amino-7-methylquinazolin-2-yl)-3-fluorophenol;tert-butyl N-[1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]carbamate
CID 159697266
tert-butyl N-[1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]carbamate;2-(4-chloro-7-methylquinazolin-2-yl)-3-fluorophenol
CID 161198155
tert-butyl N-[1-[7-(benzenesulfonyl)-6-iodopyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]carbamate
CID 86718044
tert-butyl N-[1-(6-tert-butylpyrimidin-4-yl)piperidin-4-yl]carbamate
CID 126850002
tert-butyl N-[1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]carbamate;1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 159257289
tert-butyl N-[1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]carbamate
CID 136649228
tert-butyl N-[1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 18667607
tert-butyl N-[1-(4-methyl-2-nitrophenyl)piperidin-4-yl]carbamate
CID 69042348
tert-butyl N-[(3S)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 71634683

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(7-methylquinazolin-4-yl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(7-methylquinazolin-4-yl)piperidin-4-yl]carbamate (CID 143371287) is tert-butyl N-[1-(7-methylquinazolin-4-yl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(7-methylquinazolin-4-yl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(7-methylquinazolin-4-yl)piperidin-4-yl]carbamate is Cc1ccc2c(N3CCC(NC(=O)OC(C)(C)C)CC3)ncnc2c1.
What is the InChIKey of tert-butyl N-[1-(7-methylquinazolin-4-yl)piperidin-4-yl]carbamate?
The InChIKey is MJVBLGDDLILVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13-5-6-15-16(11-13)20-12-21-17(15)23-9-7-14(8-10-23)22-18(24)25-19(2,3)4/h5-6,11-12,14H,7-10H2,1-4H3,(H,22,24).
What are the key properties of tert-butyl N-[1-(7-methylquinazolin-4-yl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(7-methylquinazolin-4-yl)piperidin-4-yl]carbamate has a molecular weight of 342.44 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(7-methylquinazolin-4-yl)piperidin-4-yl]carbamate is sourced from PubChem (CID 143371287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).