4-[3-(8-chloroquinolin-4-yl)-2-(cyclopropylmethyl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine

C27H24ClN5O2 — CID 134371915

IUPAC4-[3-(8-chloroquinolin-4-yl)-2-(cyclopropylmethyl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine
SMILESClc1cccc2c(-n3c(CC4CC4)nc4c(-c5ncco5)cc(N5CCOCC5)cc43)ccnc12
InChIInChI=1S/C27H24ClN5O2/c28-21-3-1-2-19-22(6-7-29-25(19)21)33-23-16-18(32-9-12-34-13-10-32)15-20(27-30-8-11-35-27)26(23)31-24(33)14-17-4-5-17/h1-3,6-8,11,15-17H,4-5,9-10,12-14H2
InChIKeyAQQHYKVMCYCIAA-UHFFFAOYSA-N
MW485.98 g/mol
LogP5.67
Rot. Bonds5

About 4-[3-(8-chloroquinolin-4-yl)-2-(cyclopropylmethyl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine

4-[3-(8-chloroquinolin-4-yl)-2-(cyclopropylmethyl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine (PubChem CID 134371915) has the molecular formula C27H24ClN5O2 and a molecular weight of 485.98 g/mol. Its IUPAC name is 4-[3-(8-chloroquinolin-4-yl)-2-(cyclopropylmethyl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[3-(8-chloroquinolin-4-yl)-2-(cyclopropylmethyl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine
PubChem CID134371915
Molecular FormulaC27H24ClN5O2
Molecular Weight485.98 g/mol
Exact Mass485.16
IUPAC Name4-[3-(8-chloroquinolin-4-yl)-2-(cyclopropylmethyl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine
SMILESClc1cccc2c(-n3c(CC4CC4)nc4c(-c5ncco5)cc(N5CCOCC5)cc43)ccnc12
InChIInChI=1S/C27H24ClN5O2/c28-21-3-1-2-19-22(6-7-29-25(19)21)33-23-16-18(32-9-12-34-13-10-32)15-20(27-30-8-11-35-27)26(23)31-24(33)14-17-4-5-17/h1-3,6-8,11,15-17H,4-5,9-10,12-14H2
InChIKeyAQQHYKVMCYCIAA-UHFFFAOYSA-N
XLogP5.67
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.98
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[3-(8-chloroquinolin-4-yl)-2-(cyclopropylmethyl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine with MolForge

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Related Compounds

[(3S,4S)-1-[3-chloro-7-(1,3-oxazol-2-yl)quinolin-4-yl]-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 134266875
[(3S,4S)-1-[3-chloro-7-(1,3-oxazol-2-yl)quinolin-4-yl]-3-methylpiperidin-4-yl]-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 134276058
US10214519, Example 200
CID 134361690
US10214519, Example 230
CID 134361801
US10214519, Example 213
CID 134371906
US10214519, Example 214
CID 134371907
US10214519, Example 217
CID 134371911
US10214519, Example 218
CID 134371912
US10214519, Example 219
CID 134371913
US10214519, Example 221
CID 134371914
US10214519, Example 222
CID 134371916
US10214519, Example 223
CID 134371917

Frequently Asked Questions

What is the IUPAC name of 4-[3-(8-chloroquinolin-4-yl)-2-(cyclopropylmethyl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine?
The IUPAC name of 4-[3-(8-chloroquinolin-4-yl)-2-(cyclopropylmethyl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine (CID 134371915) is 4-[3-(8-chloroquinolin-4-yl)-2-(cyclopropylmethyl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[3-(8-chloroquinolin-4-yl)-2-(cyclopropylmethyl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[3-(8-chloroquinolin-4-yl)-2-(cyclopropylmethyl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine is Clc1cccc2c(-n3c(CC4CC4)nc4c(-c5ncco5)cc(N5CCOCC5)cc43)ccnc12.
What is the InChIKey of 4-[3-(8-chloroquinolin-4-yl)-2-(cyclopropylmethyl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine?
The InChIKey is AQQHYKVMCYCIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN5O2/c28-21-3-1-2-19-22(6-7-29-25(19)21)33-23-16-18(32-9-12-34-13-10-32)15-20(27-30-8-11-35-27)26(23)31-24(33)14-17-4-5-17/h1-3,6-8,11,15-17H,4-5,9-10,12-14H2.
What are the key properties of 4-[3-(8-chloroquinolin-4-yl)-2-(cyclopropylmethyl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine?
4-[3-(8-chloroquinolin-4-yl)-2-(cyclopropylmethyl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine has a molecular weight of 485.98 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(8-chloroquinolin-4-yl)-2-(cyclopropylmethyl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine is sourced from PubChem (CID 134371915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).