tert-butyl N-[1-(4-chloroquinazoline-7-carbonyl)piperidin-3-yl]carbamate

C19H23ClN4O3 — CID 86598057

IUPACtert-butyl N-[1-(4-chloroquinazoline-7-carbonyl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN(C(=O)c2ccc3c(Cl)ncnc3c2)C1
InChIInChI=1S/C19H23ClN4O3/c1-19(2,3)27-18(26)23-13-5-4-8-24(10-13)17(25)12-6-7-14-15(9-12)21-11-22-16(14)20/h6-7,9,11,13H,4-5,8,10H2,1-3H3,(H,23,26)
InChIKeyBJUOJEKIHBNZED-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.41
Rot. Bonds2

About tert-butyl N-[1-(4-chloroquinazoline-7-carbonyl)piperidin-3-yl]carbamate

tert-butyl N-[1-(4-chloroquinazoline-7-carbonyl)piperidin-3-yl]carbamate (PubChem CID 86598057) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is tert-butyl N-[1-(4-chloroquinazoline-7-carbonyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-chloroquinazoline-7-carbonyl)piperidin-3-yl]carbamate
PubChem CID86598057
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC Nametert-butyl N-[1-(4-chloroquinazoline-7-carbonyl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN(C(=O)c2ccc3c(Cl)ncnc3c2)C1
InChIInChI=1S/C19H23ClN4O3/c1-19(2,3)27-18(26)23-13-5-4-8-24(10-13)17(25)12-6-7-14-15(9-12)21-11-22-16(14)20/h6-7,9,11,13H,4-5,8,10H2,1-3H3,(H,23,26)
InChIKeyBJUOJEKIHBNZED-UHFFFAOYSA-N
XLogP3.41
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl N-[(3S)-1-(3-amino-4-propan-2-yloxybenzoyl)piperidin-3-yl]carbamate
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tert-butyl N-[(3S)-1-(3-bromo-4,5-difluorobenzoyl)piperidin-3-yl]carbamate
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tert-butyl N-[(3R)-1-(3-bromo-4,5-difluorobenzoyl)piperidin-3-yl]carbamate
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tert-butyl N-[(3S)-1-(3-bromo-4-iodobenzoyl)pyrrolidin-3-yl]carbamate
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tert-butyl N-[(3R)-1-[2-[1-(2-hydroxyethyl)indol-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamate
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tert-butyl N-[(3S)-1-[4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]pyrrolidin-3-yl]carbamate
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tert-butyl N-[(3R)-1-[4-(4-aminobutyl)-3-nitrobenzoyl]piperidin-3-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-chloroquinazoline-7-carbonyl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-chloroquinazoline-7-carbonyl)piperidin-3-yl]carbamate (CID 86598057) is tert-butyl N-[1-(4-chloroquinazoline-7-carbonyl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-chloroquinazoline-7-carbonyl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-chloroquinazoline-7-carbonyl)piperidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CCCN(C(=O)c2ccc3c(Cl)ncnc3c2)C1.
What is the InChIKey of tert-butyl N-[1-(4-chloroquinazoline-7-carbonyl)piperidin-3-yl]carbamate?
The InChIKey is BJUOJEKIHBNZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c1-19(2,3)27-18(26)23-13-5-4-8-24(10-13)17(25)12-6-7-14-15(9-12)21-11-22-16(14)20/h6-7,9,11,13H,4-5,8,10H2,1-3H3,(H,23,26).
What are the key properties of tert-butyl N-[1-(4-chloroquinazoline-7-carbonyl)piperidin-3-yl]carbamate?
tert-butyl N-[1-(4-chloroquinazoline-7-carbonyl)piperidin-3-yl]carbamate has a molecular weight of 390.87 g/mol, XLogP of 3.41, 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-(4-chloroquinazoline-7-carbonyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 86598057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).